(2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

C191H259N41O46S2 — CID 160829661

About (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

(2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid (PubChem CID 160829661) has the molecular formula C191H259N41O46S2 and a molecular weight of 3929.55 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
• PubChem CID: 160829661
• Molecular Formula: C191H259N41O46S2
• Molecular Weight: 3929.55 g/mol
• Exact Mass: 3926.86
• IUPAC Name: (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
• SMILES: CCC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCNC(C)=O)C(C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NC.O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@@H](C)CCCN/C(N)=N/[H])C(=O)N[C@@H](CCS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NC(CSC1CC(=O)N(CCC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)C(OC(=O)c4ccccc4)C4[C@](C)(C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)[C@@H](O)C[C@H]2OC[C@@]42OC(C)=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1=O)C(=O)NCC(N)=O
• InChI: InChI=1S/C107H148N22O27S2.C64H99N19O14.C20H12O5/c1-58(27-25-45-116-102(112)113)90(138)122-71(39-26-46-117-103(114)115)95(143)126-72(41-48-157)97(145)124-70(38-21-24-44-110)96(144)127-73(49-65-53-118-67-35-18-17-34-66(65)67)98(146)125-69(37-20-23-43-109)94(142)123-68(36-19-22-42-108)92(140)120-55-80(134)121-74(93(141)119-54-79(111)133)56-158-76-50-81(135)129(99(76)147)47-40-82(136)154-86(84(62-28-11-8-12-29-62)128-91(139)63-30-13-9-14-31-63)101(149)153-75-52-107(150)89(155-100(148)64-32-15-10-16-33-64)87-105(7,77(132)51-78-106(87,57-151-78)156-61(4)131)88(137)85(152-60(3)130)83(59(75)2)104(107,5)6;1-7-35(3)53(83-59(93)45(24-26-50(67)86)76-56(90)42(22-16-29-73-64(69)70)75-52(88)27-30-72-37(5)84)62(96)78-43(21-14-15-28-65)58(92)82-54(36(4)8-2)63(97)81-47(32-39-34-74-41-20-13-12-19-40(39)41)61(95)79-46(31-38-17-10-9-11-18-38)60(94)77-44(23-25-49(66)85)57(91)80-48(33-51(68)87)55(89)71-6;21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h8-18,28-35,53,58,68-78,84-87,89,118,132,150,157H,19-27,36-52,54-57,108-110H2,1-7H3,(H2,111,133)(H,119,141)(H,120,140)(H,121,134)(H,122,138)(H,123,142)(H,124,145)(H,125,146)(H,126,143)(H,127,144)(H,128,139)(H4,112,113,116)(H4,114,115,117);9-13,17-20,34-36,42-48,53-54,74H,7-8,14-16,21-33,65H2,1-6H3,(H2,66,85)(H2,67,86)(H2,68,87)(H,71,89)(H,72,84)(H,75,88)(H,76,90)(H,77,94)(H,78,96)(H,79,95)(H,80,91)(H,81,97)(H,82,92)(H,83,93)(H4,69,70,73);1-10,21H,(H,23,24)/t58-,68-,69-,70-,71-,72-,73-,74?,75-,76?,77-,78+,84-,85+,86+,87?,89?,105+,106-,107+;35?,36?,42-,43-,44-,45-,46-,47-,48-,53-,54-;/m00./s1
• InChIKey: SGQAIBQLGHXSPH-YIIKVMLVSA-N
• XLogP: -0.52
• TPSA: 1430.70 Ų
• H-Bond Donors: 44
• H-Bond Acceptors: 54
• Rotatable Bonds: 107
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3929.55
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	44
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid?

The IUPAC name of (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid (CID 160829661) is (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid.

What is the SMILES notation for (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid?

The canonical SMILES for (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid is CCC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCNC(C)=O)C(C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NC.O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@@H](C)CCCN/C(N)=N/[H])C(=O)N[C@@H](CCS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NC(CSC1CC(=O)N(CCC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)C(OC(=O)c4ccccc4)C4[C@](C)(C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)[C@@H](O)C[C@H]2OC[C@@]42OC(C)=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1=O)C(=O)NCC(N)=O.

What is the InChIKey of (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid?

The InChIKey is SGQAIBQLGHXSPH-YIIKVMLVSA-N. The full InChI is InChI=1S/C107H148N22O27S2.C64H99N19O14.C20H12O5/c1-58(27-25-45-116-102(112)113)90(138)122-71(39-26-46-117-103(114)115)95(143)126-72(41-48-157)97(145)124-70(38-21-24-44-110)96(144)127-73(49-65-53-118-67-35-18-17-34-66(65)67)98(146)125-69(37-20-23-43-109)94(142)123-68(36-19-22-42-108)92(140)120-55-80(134)121-74(93(141)119-54-79(111)133)56-158-76-50-81(135)129(99(76)147)47-40-82(136)154-86(84(62-28-11-8-12-29-62)128-91(139)63-30-13-9-14-31-63)101(149)153-75-52-107(150)89(155-100(148)64-32-15-10-16-33-64)87-105(7,77(132)51-78-106(87,57-151-78)156-61(4)131)88(137)85(152-60(3)130)83(59(75)2)104(107,5)6;1-7-35(3)53(83-59(93)45(24-26-50(67)86)76-56(90)42(22-16-29-73-64(69)70)75-52(88)27-30-72-37(5)84)62(96)78-43(21-14-15-28-65)58(92)82-54(36(4)8-2)63(97)81-47(32-39-34-74-41-20-13-12-19-40(39)41)61(95)79-46(31-38-17-10-9-11-18-38)60(94)77-44(23-25-49(66)85)57(91)80-48(33-51(68)87)55(89)71-6;21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h8-18,28-35,53,58,68-78,84-87,89,118,132,150,157H,19-27,36-52,54-57,108-110H2,1-7H3,(H2,111,133)(H,119,141)(H,120,140)(H,121,134)(H,122,138)(H,123,142)(H,124,145)(H,125,146)(H,126,143)(H,127,144)(H,128,139)(H4,112,113,116)(H4,114,115,117);9-13,17-20,34-36,42-48,53-54,74H,7-8,14-16,21-33,65H2,1-6H3,(H2,66,85)(H2,67,86)(H2,68,87)(H,71,89)(H,72,84)(H,75,88)(H,76,90)(H,77,94)(H,78,96)(H,79,95)(H,80,91)(H,81,97)(H,82,92)(H,83,93)(H4,69,70,73);1-10,21H,(H,23,24)/t58-,68-,69-,70-,71-,72-,73-,74?,75-,76?,77-,78+,84-,85+,86+,87?,89?,105+,106-,107+;35?,36?,42-,43-,44-,45-,46-,47-,48-,53-,54-;/m00./s1.

What are the key properties of (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid?

(2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid has a molecular weight of 3929.55 g/mol, XLogP of -0.52, 107 rotatable bonds, 44 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-(methylamino)-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide;[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[3-[3-[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-methylpentanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoyloxy]-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid is sourced from PubChem (CID 160829661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).