4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C120H196N38O37 — CID 172641519

IUPAC4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SMILES[H]/N=C(\N)NCCCC(NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C120H196N38O37/c1-59(2)42-66(122)95(172)143-78(50-93(168)169)107(184)145-73(43-60(3)4)102(179)148-77(49-90(124)164)106(183)144-74(44-61(5)6)103(180)149-79(51-94(170)171)108(185)146-75(45-62(7)8)104(181)153-83(55-160)109(186)139-68(24-14-15-35-121)98(175)147-76(47-64-22-12-11-13-23-64)105(182)138-69(26-17-37-133-119(127)128)99(176)150-80(46-63(9)10)115(192)157-40-20-29-87(157)112(189)142-72(31-33-89(123)163)114(191)156-39-19-30-88(156)113(190)154-84(56-161)110(187)152-82(54-159)96(173)135-53-91(165)137-67(25-16-36-132-118(125)126)97(174)140-71(32-34-92(166)167)101(178)155-85(57-162)116(193)158-41-21-28-86(158)111(188)141-70(27-18-38-134-120(129)130)100(177)151-81(117(194)195)48-65-52-131-58-136-65/h11-13,22-23,52,58-63,66-88,159-162H,14-21,24-51,53-57,121-122H2,1-10H3,(H2,123,163)(H2,124,164)(H,131,136)(H,135,173)(H,137,165)(H,138,182)(H,139,186)(H,140,174)(H,141,188)(H,142,189)(H,143,172)(H,144,183)(H,145,184)(H,146,185)(H,147,175)(H,148,179)(H,149,180)(H,150,176)(H,151,177)(H,152,187)(H,153,181)(H,154,190)(H,155,178)(H,166,167)(H,168,169)(H,170,171)(H,194,195)(H4,125,126,132)(H4,127,128,133)(H4,129,130,134)
InChIKeyFPVZIIUKVAIOMZ-UHFFFAOYSA-N
MW2763.12 g/mol
LogP-14.02
Rot. Bonds90

About 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 172641519) has the molecular formula C120H196N38O37 and a molecular weight of 2763.12 g/mol. Its IUPAC name is 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
PubChem CID172641519
Molecular FormulaC120H196N38O37
Molecular Weight2763.12 g/mol
Exact Mass2761.46
IUPAC Name4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SMILES[H]/N=C(\N)NCCCC(NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C120H196N38O37/c1-59(2)42-66(122)95(172)143-78(50-93(168)169)107(184)145-73(43-60(3)4)102(179)148-77(49-90(124)164)106(183)144-74(44-61(5)6)103(180)149-79(51-94(170)171)108(185)146-75(45-62(7)8)104(181)153-83(55-160)109(186)139-68(24-14-15-35-121)98(175)147-76(47-64-22-12-11-13-23-64)105(182)138-69(26-17-37-133-119(127)128)99(176)150-80(46-63(9)10)115(192)157-40-20-29-87(157)112(189)142-72(31-33-89(123)163)114(191)156-39-19-30-88(156)113(190)154-84(56-161)110(187)152-82(54-159)96(173)135-53-91(165)137-67(25-16-36-132-118(125)126)97(174)140-71(32-34-92(166)167)101(178)155-85(57-162)116(193)158-41-21-28-86(158)111(188)141-70(27-18-38-134-120(129)130)100(177)151-81(117(194)195)48-65-52-131-58-136-65/h11-13,22-23,52,58-63,66-88,159-162H,14-21,24-51,53-57,121-122H2,1-10H3,(H2,123,163)(H2,124,164)(H,131,136)(H,135,173)(H,137,165)(H,138,182)(H,139,186)(H,140,174)(H,141,188)(H,142,189)(H,143,172)(H,144,183)(H,145,184)(H,146,185)(H,147,175)(H,148,179)(H,149,180)(H,150,176)(H,151,177)(H,152,187)(H,153,181)(H,154,190)(H,155,178)(H,166,167)(H,168,169)(H,170,171)(H,194,195)(H4,125,126,132)(H4,127,128,133)(H4,129,130,134)
InChIKeyFPVZIIUKVAIOMZ-UHFFFAOYSA-N
XLogP-14.02
TPSA1225.65 Ų
H-Bond Donors42
H-Bond Acceptors39
Rotatable Bonds90
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002763.12
LogP ≤ 5-14.02
H-Bond Donors ≤ 542
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CID 172641519) is 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is [H]/N=C(\N)NCCCC(NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is FPVZIIUKVAIOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H196N38O37/c1-59(2)42-66(122)95(172)143-78(50-93(168)169)107(184)145-73(43-60(3)4)102(179)148-77(49-90(124)164)106(183)144-74(44-61(5)6)103(180)149-79(51-94(170)171)108(185)146-75(45-62(7)8)104(181)153-83(55-160)109(186)139-68(24-14-15-35-121)98(175)147-76(47-64-22-12-11-13-23-64)105(182)138-69(26-17-37-133-119(127)128)99(176)150-80(46-63(9)10)115(192)157-40-20-29-87(157)112(189)142-72(31-33-89(123)163)114(191)156-39-19-30-88(156)113(190)154-84(56-161)110(187)152-82(54-159)96(173)135-53-91(165)137-67(25-16-36-132-118(125)126)97(174)140-71(32-34-92(166)167)101(178)155-85(57-162)116(193)158-41-21-28-86(158)111(188)141-70(27-18-38-134-120(129)130)100(177)151-81(117(194)195)48-65-52-131-58-136-65/h11-13,22-23,52,58-63,66-88,159-162H,14-21,24-51,53-57,121-122H2,1-10H3,(H2,123,163)(H2,124,164)(H,131,136)(H,135,173)(H,137,165)(H,138,182)(H,139,186)(H,140,174)(H,141,188)(H,142,189)(H,143,172)(H,144,183)(H,145,184)(H,146,185)(H,147,175)(H,148,179)(H,149,180)(H,150,176)(H,151,177)(H,152,187)(H,153,181)(H,154,190)(H,155,178)(H,166,167)(H,168,169)(H,170,171)(H,194,195)(H4,125,126,132)(H4,127,128,133)(H4,129,130,134).
What are the key properties of 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 2763.12 g/mol, XLogP of -14.02, 90 rotatable bonds, 42 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[1-[2-[[5-carbamimidamido-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 172641519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).