(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate

C310H362N14O78 — CID 158133459

IUPAC(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate
SMILESCOCCOCCCC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@@H](CC(C)C)NC(=O)C(CC(=O)O)CC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O.COCCOCCCC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)CC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C157H185N7O39.C153H177N7O39/c1-106(2)87-131(164-152(186)124(95-150(184)203-157(4,5)6)94-139(173)132(158-107(3)165)88-108-60-67-125(166)68-61-108)138(172)92-122(65-77-143(177)196-99-112-45-24-11-25-46-112)136(170)90-120(63-75-141(175)194-97-110-41-20-9-21-42-110)134(168)89-119(62-74-140(174)193-96-109-39-18-8-19-40-109)135(169)91-121(64-76-142(176)195-98-111-43-22-10-23-44-111)137(171)93-123(66-78-144(178)197-100-113-47-26-12-27-48-113)151(185)160-127(70-80-146(180)199-102-115-51-30-14-31-52-115)154(188)162-129(72-82-148(182)201-104-117-55-34-16-35-56-117)156(190)163-130(73-83-149(183)202-105-118-57-36-17-37-58-118)155(189)161-128(71-81-147(181)200-103-116-53-32-15-33-54-116)153(187)159-126(133(167)59-38-84-192-86-85-191-7)69-79-145(179)198-101-114-49-28-13-29-50-114;1-103(2)84-128(160-149(183)121(92-137(170)171)91-136(169)129(154-104(3)161)85-105-57-64-122(162)65-58-105)135(168)89-119(62-74-141(175)193-96-109-42-21-8-22-43-109)133(166)87-117(60-72-139(173)191-94-107-38-17-6-18-39-107)131(164)86-116(59-71-138(172)190-93-106-36-15-5-16-37-106)132(165)88-118(61-73-140(174)192-95-108-40-19-7-20-41-108)134(167)90-120(63-75-142(176)194-97-110-44-23-9-24-45-110)148(182)156-124(67-77-144(178)196-99-112-48-27-11-28-49-112)151(185)158-126(69-79-146(180)198-101-114-52-31-13-32-53-114)153(187)159-127(70-80-147(181)199-102-115-54-33-14-34-55-115)152(186)157-125(68-78-145(179)197-100-113-50-29-12-30-51-113)150(184)155-123(130(163)56-35-81-189-83-82-188-4)66-76-143(177)195-98-111-46-25-10-26-47-111/h8-37,39-58,60-61,67-68,106,119-124,126-132,166H,38,59,62-66,69-105H2,1-7H3,(H,158,165)(H,159,187)(H,160,185)(H,161,189)(H,162,188)(H,163,190)(H,164,186);5-34,36-55,57-58,64-65,103,116-121,123-129,162H,35,56,59-63,66-102H2,1-4H3,(H,154,161)(H,155,184)(H,156,182)(H,157,186)(H,158,185)(H,159,187)(H,160,183)(H,170,171)/t119-,120-,121-,122-,123-,124+,126-,127-,128-,129-,130-,131-,132+;116-,117-,118-,119-,120-,121?,123-,124-,125-,126-,127-,128-,129+/m11/s1
InChIKeyFTBFWTOLXZBOKQ-BYLXNPJASA-N
MW5532.33 g/mol
LogP36.40
Rot. Bonds190

About (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate

(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate (PubChem CID 158133459) has the molecular formula C310H362N14O78 and a molecular weight of 5532.33 g/mol. Its IUPAC name is (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate.

Molecular Properties

Compound Name(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate
PubChem CID158133459
Molecular FormulaC310H362N14O78
Molecular Weight5532.33 g/mol
Exact Mass5528.48
IUPAC Name(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate
SMILESCOCCOCCCC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@@H](CC(C)C)NC(=O)C(CC(=O)O)CC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O.COCCOCCCC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)CC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C157H185N7O39.C153H177N7O39/c1-106(2)87-131(164-152(186)124(95-150(184)203-157(4,5)6)94-139(173)132(158-107(3)165)88-108-60-67-125(166)68-61-108)138(172)92-122(65-77-143(177)196-99-112-45-24-11-25-46-112)136(170)90-120(63-75-141(175)194-97-110-41-20-9-21-42-110)134(168)89-119(62-74-140(174)193-96-109-39-18-8-19-40-109)135(169)91-121(64-76-142(176)195-98-111-43-22-10-23-44-111)137(171)93-123(66-78-144(178)197-100-113-47-26-12-27-48-113)151(185)160-127(70-80-146(180)199-102-115-51-30-14-31-52-115)154(188)162-129(72-82-148(182)201-104-117-55-34-16-35-56-117)156(190)163-130(73-83-149(183)202-105-118-57-36-17-37-58-118)155(189)161-128(71-81-147(181)200-103-116-53-32-15-33-54-116)153(187)159-126(133(167)59-38-84-192-86-85-191-7)69-79-145(179)198-101-114-49-28-13-29-50-114;1-103(2)84-128(160-149(183)121(92-137(170)171)91-136(169)129(154-104(3)161)85-105-57-64-122(162)65-58-105)135(168)89-119(62-74-141(175)193-96-109-42-21-8-22-43-109)133(166)87-117(60-72-139(173)191-94-107-38-17-6-18-39-107)131(164)86-116(59-71-138(172)190-93-106-36-15-5-16-37-106)132(165)88-118(61-73-140(174)192-95-108-40-19-7-20-41-108)134(167)90-120(63-75-142(176)194-97-110-44-23-9-24-45-110)148(182)156-124(67-77-144(178)196-99-112-48-27-11-28-49-112)151(185)158-126(69-79-146(180)198-101-114-52-31-13-32-53-114)153(187)159-127(70-80-147(181)199-102-115-54-33-14-34-55-115)152(186)157-125(68-78-145(179)197-100-113-50-29-12-30-51-113)150(184)155-123(130(163)56-35-81-189-83-82-188-4)66-76-143(177)195-98-111-46-25-10-26-47-111/h8-37,39-58,60-61,67-68,106,119-124,126-132,166H,38,59,62-66,69-105H2,1-7H3,(H,158,165)(H,159,187)(H,160,185)(H,161,189)(H,162,188)(H,163,190)(H,164,186);5-34,36-55,57-58,64-65,103,116-121,123-129,162H,35,56,59-63,66-102H2,1-4H3,(H,154,161)(H,155,184)(H,156,182)(H,157,186)(H,158,185)(H,159,187)(H,160,183)(H,170,171)/t119-,120-,121-,122-,123-,124+,126-,127-,128-,129-,130-,131-,132+;116-,117-,118-,119-,120-,121?,123-,124-,125-,126-,127-,128-,129+/m11/s1
InChIKeyFTBFWTOLXZBOKQ-BYLXNPJASA-N
XLogP36.40
TPSA1313.36 Ų
H-Bond Donors17
H-Bond Acceptors77
Rotatable Bonds190
Heavy Atoms402
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005532.33
LogP ≤ 536.40
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1077

Analyze (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate with MolForge

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Related Compounds

dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate;2-(2-methoxyethoxy)ethanamine
CID 158047840
(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid
CID 158133460
dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S,8S,11S,14S,17S)-17-acetamido-2,5,8,11,14-pentakis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,7,10,13,16-pentaoxo-18-(4-phenylmethoxyphenyl)octadecanoyl]amino]-2-oxo-4-phenylbutyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate
CID 162237981
dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2R,5S)-5-acetamido-7-[(2-methylpropan-2-yl)oxy]-4,7-dioxo-2-[(4-phenylmethoxyphenyl)methyl]heptanoyl]amino]-2-oxo-4-phenylbutyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate;2-(2-methoxyethoxy)ethanamine
CID 159372755
benzyl (4R,7R)-8-(4-hydroxyphenyl)-7-[[(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanoyl]amino]-4-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]carbamoyl]-6-oxooctanoate
CID 158468462
dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanoyl]amino]-2-oxo-4-phenylbutyl]-16-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate;(3R,6R,9R,12R,15R)-1-N,17-N-dihydroxy-3-N-[(4R)-1-(hydroxyamino)-8-(2-methoxyethoxy)-1,5-dioxooctan-4-yl]-6,9,12-tris[3-(hydroxyamino)-3-oxopropyl]-15-[(3R)-3-[[(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanoyl]amino]-2-oxo-4-phenylbutyl]-5,8,11,14-tetraoxoheptadecane-1,3,17-tricarboxamide
CID 158833176
benzyl (4R,7R)-7-[[(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxopentanoyl]amino]-4-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]carbamoyl]-6-oxo-8-phenyloctanoate;benzyl (4R,7R)-4-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-6-oxo-7-[[(2R)-4-oxo-2-[(4-phenylmethoxyphenyl)methyl]pentanoyl]amino]-8-phenyloctanoate
CID 158452598
(3S,6R,9R,12R,15R,18R,21R,24R,27R,30R,33R)-3-acetamido-34-[[(2R,5R)-8-aminooxy-5-[[(4R)-1-(hydroxyamino)-8-(2-methoxyethoxy)-1,5-dioxooctan-4-yl]carbamoyl]-3,8-dioxo-1-phenyloctan-2-yl]amino]-6,9,12,15,18,21,24,27,30,33-decakis[(4-hydroxyphenyl)methyl]-4,7,10,13,16,19,22,25,28,31,34-undecaoxotetratriacontanoic acid
CID 160824395
(3S,6S)-6-acetamido-3-[[(4R,7R)-10-(hydroxyamino)-7-[[(4R)-1-(hydroxyamino)-8-(2-methoxyethoxy)-1,5-dioxooctan-4-yl]carbamoyl]-2-methyl-5,10-dioxodecan-4-yl]carbamoyl]-7-(4-hydroxyphenyl)-5-oxoheptanoic acid;(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R)-10-iminoboranyloxy-7-[[(4R)-1-iminoboranyloxy-8-(2-methoxyethoxy)-1,5-dioxooctan-4-yl]carbamoyl]-2-methyl-5,10-dioxodecan-4-yl]carbamoyl]-5-oxoheptanoic acid
CID 162188503
benzyl (4R)-4-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]carbamoyl]-6-oxoheptanoate
CID 158335353
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 11027493
benzyl (3R)-3-[[(5S)-5-[[(2R)-2-ethyl-4-oxo-4-phenylmethoxybutanoyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]carbamoyl]pentanoate
CID 159527031

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate?
The IUPAC name of (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate (CID 158133459) is (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate.
What is the SMILES notation for (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate?
The canonical SMILES for (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate is COCCOCCCC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@@H](CC(C)C)NC(=O)C(CC(=O)O)CC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O.COCCOCCCC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@H](CCC(=O)OCc1ccccc1)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)CC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O.
What is the InChIKey of (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate?
The InChIKey is FTBFWTOLXZBOKQ-BYLXNPJASA-N. The full InChI is InChI=1S/C157H185N7O39.C153H177N7O39/c1-106(2)87-131(164-152(186)124(95-150(184)203-157(4,5)6)94-139(173)132(158-107(3)165)88-108-60-67-125(166)68-61-108)138(172)92-122(65-77-143(177)196-99-112-45-24-11-25-46-112)136(170)90-120(63-75-141(175)194-97-110-41-20-9-21-42-110)134(168)89-119(62-74-140(174)193-96-109-39-18-8-19-40-109)135(169)91-121(64-76-142(176)195-98-111-43-22-10-23-44-111)137(171)93-123(66-78-144(178)197-100-113-47-26-12-27-48-113)151(185)160-127(70-80-146(180)199-102-115-51-30-14-31-52-115)154(188)162-129(72-82-148(182)201-104-117-55-34-16-35-56-117)156(190)163-130(73-83-149(183)202-105-118-57-36-17-37-58-118)155(189)161-128(71-81-147(181)200-103-116-53-32-15-33-54-116)153(187)159-126(133(167)59-38-84-192-86-85-191-7)69-79-145(179)198-101-114-49-28-13-29-50-114;1-103(2)84-128(160-149(183)121(92-137(170)171)91-136(169)129(154-104(3)161)85-105-57-64-122(162)65-58-105)135(168)89-119(62-74-141(175)193-96-109-42-21-8-22-43-109)133(166)87-117(60-72-139(173)191-94-107-38-17-6-18-39-107)131(164)86-116(59-71-138(172)190-93-106-36-15-5-16-37-106)132(165)88-118(61-73-140(174)192-95-108-40-19-7-20-41-108)134(167)90-120(63-75-142(176)194-97-110-44-23-9-24-45-110)148(182)156-124(67-77-144(178)196-99-112-48-27-11-28-49-112)151(185)158-126(69-79-146(180)198-101-114-52-31-13-32-53-114)153(187)159-127(70-80-147(181)199-102-115-54-33-14-34-55-115)152(186)157-125(68-78-145(179)197-100-113-50-29-12-30-51-113)150(184)155-123(130(163)56-35-81-189-83-82-188-4)66-76-143(177)195-98-111-46-25-10-26-47-111/h8-37,39-58,60-61,67-68,106,119-124,126-132,166H,38,59,62-66,69-105H2,1-7H3,(H,158,165)(H,159,187)(H,160,185)(H,161,189)(H,162,188)(H,163,190)(H,164,186);5-34,36-55,57-58,64-65,103,116-121,123-129,162H,35,56,59-63,66-102H2,1-4H3,(H,154,161)(H,155,184)(H,156,182)(H,157,186)(H,158,185)(H,159,187)(H,160,183)(H,170,171)/t119-,120-,121-,122-,123-,124+,126-,127-,128-,129-,130-,131-,132+;116-,117-,118-,119-,120-,121?,123-,124-,125-,126-,127-,128-,129+/m11/s1.
What are the key properties of (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate?
(3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate has a molecular weight of 5532.33 g/mol, XLogP of 36.40, 190 rotatable bonds, 17 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-acetamido-7-(4-hydroxyphenyl)-3-[[(4R,7R,10R,13R,16R,19R)-19-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-2-methyl-5,8,11,14,17,22-hexaoxo-7,10,13,16-tetrakis(3-oxo-3-phenylmethoxypropyl)-22-phenylmethoxydocosan-4-yl]carbamoyl]-5-oxoheptanoic acid;dibenzyl (4R,7R,10R,13R,16R)-4-[(3R)-3-[[(2S,5S)-5-acetamido-6-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxohexanoyl]amino]-5-methyl-2-oxohexyl]-16-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(4R)-8-(2-methoxyethoxy)-1,5-dioxo-1-phenylmethoxyoctan-4-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]-5,8,11,14-tetraoxo-7,10,13-tris(3-oxo-3-phenylmethoxypropyl)nonadecanedioate is sourced from PubChem (CID 158133459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).