(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid

C162H231N27O39 — CID 118727699

IUPAC(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
SMILESCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COCCOCCOCCOCCOCCCCc1cn(CCCCCCOc2cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C162H231N27O39/c1-4-7-55-133(154(202)178-142(103-148(193)194)160(208)175-136(151(163)199)94-115-43-19-16-20-44-115)172-157(205)139(97-118-106-166-130-58-28-25-52-127(118)130)169-145(190)112-223-91-88-220-85-82-217-79-76-214-73-70-211-64-40-31-49-121-109-187(184-181-121)61-34-10-13-37-67-226-124-100-125(227-68-38-14-11-35-62-188-110-122(182-185-188)50-32-41-65-212-71-74-215-77-80-218-83-86-221-89-92-224-113-146(191)170-140(98-119-107-167-131-59-29-26-53-128(119)131)158(206)173-134(56-8-5-2)155(203)179-143(104-149(195)196)161(209)176-137(152(164)200)95-116-45-21-17-22-46-116)102-126(101-124)228-69-39-15-12-36-63-189-111-123(183-186-189)51-33-42-66-213-72-75-216-78-81-219-84-87-222-90-93-225-114-147(192)171-141(99-120-108-168-132-60-30-27-54-129(120)132)159(207)174-135(57-9-6-3)156(204)180-144(105-150(197)198)162(210)177-138(153(165)201)96-117-47-23-18-24-48-117/h16-30,43-48,52-54,58-60,100-102,106-111,133-144,166-168H,4-15,31-42,49-51,55-57,61-99,103-105,112-114H2,1-3H3,(H2,163,199)(H2,164,200)(H2,165,201)(H,169,190)(H,170,191)(H,171,192)(H,172,205)(H,173,206)(H,174,207)(H,175,208)(H,176,209)(H,177,210)(H,178,202)(H,179,203)(H,180,204)(H,193,194)(H,195,196)(H,197,198)/t133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1
InChIKeySXDGWTLVDAZGDJ-QTMGFDEOSA-N
MW3180.78 g/mol
LogP9.76
Rot. Bonds132

About (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid

(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid (PubChem CID 118727699) has the molecular formula C162H231N27O39 and a molecular weight of 3180.78 g/mol. Its IUPAC name is (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
PubChem CID118727699
Molecular FormulaC162H231N27O39
Molecular Weight3180.78 g/mol
Exact Mass3178.69
IUPAC Name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
SMILESCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COCCOCCOCCOCCOCCCCc1cn(CCCCCCOc2cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C162H231N27O39/c1-4-7-55-133(154(202)178-142(103-148(193)194)160(208)175-136(151(163)199)94-115-43-19-16-20-44-115)172-157(205)139(97-118-106-166-130-58-28-25-52-127(118)130)169-145(190)112-223-91-88-220-85-82-217-79-76-214-73-70-211-64-40-31-49-121-109-187(184-181-121)61-34-10-13-37-67-226-124-100-125(227-68-38-14-11-35-62-188-110-122(182-185-188)50-32-41-65-212-71-74-215-77-80-218-83-86-221-89-92-224-113-146(191)170-140(98-119-107-167-131-59-29-26-53-128(119)131)158(206)173-134(56-8-5-2)155(203)179-143(104-149(195)196)161(209)176-137(152(164)200)95-116-45-21-17-22-46-116)102-126(101-124)228-69-39-15-12-36-63-189-111-123(183-186-189)51-33-42-66-213-72-75-216-78-81-219-84-87-222-90-93-225-114-147(192)171-141(99-120-108-168-132-60-30-27-54-129(120)132)159(207)174-135(57-9-6-3)156(204)180-144(105-150(197)198)162(210)177-138(153(165)201)96-117-47-23-18-24-48-117/h16-30,43-48,52-54,58-60,100-102,106-111,133-144,166-168H,4-15,31-42,49-51,55-57,61-99,103-105,112-114H2,1-3H3,(H2,163,199)(H2,164,200)(H2,165,201)(H,169,190)(H,170,191)(H,171,192)(H,172,205)(H,173,206)(H,174,207)(H,175,208)(H,176,209)(H,177,210)(H,178,202)(H,179,203)(H,180,204)(H,193,194)(H,195,196)(H,197,198)/t133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1
InChIKeySXDGWTLVDAZGDJ-QTMGFDEOSA-N
XLogP9.76
TPSA896.01 Ų
H-Bond Donors21
H-Bond Acceptors45
Rotatable Bonds132
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003180.78
LogP ≤ 59.76
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid (CID 118727699) is (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid is CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COCCOCCOCCOCCOCCCCc1cn(CCCCCCOc2cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid?
The InChIKey is SXDGWTLVDAZGDJ-QTMGFDEOSA-N. The full InChI is InChI=1S/C162H231N27O39/c1-4-7-55-133(154(202)178-142(103-148(193)194)160(208)175-136(151(163)199)94-115-43-19-16-20-44-115)172-157(205)139(97-118-106-166-130-58-28-25-52-127(118)130)169-145(190)112-223-91-88-220-85-82-217-79-76-214-73-70-211-64-40-31-49-121-109-187(184-181-121)61-34-10-13-37-67-226-124-100-125(227-68-38-14-11-35-62-188-110-122(182-185-188)50-32-41-65-212-71-74-215-77-80-218-83-86-221-89-92-224-113-146(191)170-140(98-119-107-167-131-59-29-26-53-128(119)131)158(206)173-134(56-8-5-2)155(203)179-143(104-149(195)196)161(209)176-137(152(164)200)95-116-45-21-17-22-46-116)102-126(101-124)228-69-39-15-12-36-63-189-111-123(183-186-189)51-33-42-66-213-72-75-216-78-81-219-84-87-222-90-93-225-114-147(192)171-141(99-120-108-168-132-60-30-27-54-129(120)132)159(207)174-135(57-9-6-3)156(204)180-144(105-150(197)198)162(210)177-138(153(165)201)96-117-47-23-18-24-48-117/h16-30,43-48,52-54,58-60,100-102,106-111,133-144,166-168H,4-15,31-42,49-51,55-57,61-99,103-105,112-114H2,1-3H3,(H2,163,199)(H2,164,200)(H2,165,201)(H,169,190)(H,170,191)(H,171,192)(H,172,205)(H,173,206)(H,174,207)(H,175,208)(H,176,209)(H,177,210)(H,178,202)(H,179,203)(H,180,204)(H,193,194)(H,195,196)(H,197,198)/t133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1.
What are the key properties of (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid?
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid has a molecular weight of 3180.78 g/mol, XLogP of 9.76, 132 rotatable bonds, 21 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[4-[1-[6-[3,5-bis[6-[4-[4-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]triazol-1-yl]hexoxy]phenoxy]hexyl]triazol-4-yl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 118727699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).