(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid

C86H137N29O36 — CID 175922983

IUPAC(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid
SMILES[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C86H137N29O36/c1-6-38(2)68(80(145)101-39(3)70(135)93-26-61(127)102-46(14-16-58(89)124)73(138)107-47(85(150)151)10-7-17-92-86(90)91)109-64(130)29-94-71(136)45(13-15-57(88)123)106-79(144)53-12-8-18-111(53)66(132)31-99-78(143)56-22-44(122)34-115(56)84(149)69(41(5)119)110-65(131)30-98-77(142)55-21-43(121)33-114(55)83(148)51(37-118)105-63(129)28-97-76(141)54-20-42(120)32-113(54)81(146)40(4)100-60(126)25-95-72(137)48(23-67(133)134)108-74(139)49(35-116)103-62(128)27-96-75(140)52-11-9-19-112(52)82(147)50(36-117)104-59(125)24-87/h38-56,68-69,116-122H,6-37,87H2,1-5H3,(H2,88,123)(H2,89,124)(H,93,135)(H,94,136)(H,95,137)(H,96,140)(H,97,141)(H,98,142)(H,99,143)(H,100,126)(H,101,145)(H,102,127)(H,103,128)(H,104,125)(H,105,129)(H,106,144)(H,107,138)(H,108,139)(H,109,130)(H,110,131)(H,133,134)(H,150,151)(H4,90,91,92)/t38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,68-,69-/m0/s1
InChIKeyVNTTVQJNVVZFHN-RRXFZYELSA-N
MW2153.21 g/mol
LogP-21.24
Rot. Bonds60

About (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid

(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid (PubChem CID 175922983) has the molecular formula C86H137N29O36 and a molecular weight of 2153.21 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid
PubChem CID175922983
Molecular FormulaC86H137N29O36
Molecular Weight2153.21 g/mol
Exact Mass2151.98
IUPAC Name(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid
SMILES[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C86H137N29O36/c1-6-38(2)68(80(145)101-39(3)70(135)93-26-61(127)102-46(14-16-58(89)124)73(138)107-47(85(150)151)10-7-17-92-86(90)91)109-64(130)29-94-71(136)45(13-15-57(88)123)106-79(144)53-12-8-18-111(53)66(132)31-99-78(143)56-22-44(122)34-115(56)84(149)69(41(5)119)110-65(131)30-98-77(142)55-21-43(121)33-114(55)83(148)51(37-118)105-63(129)28-97-76(141)54-20-42(120)32-113(54)81(146)40(4)100-60(126)25-95-72(137)48(23-67(133)134)108-74(139)49(35-116)103-62(128)27-96-75(140)52-11-9-19-112(52)82(147)50(36-117)104-59(125)24-87/h38-56,68-69,116-122H,6-37,87H2,1-5H3,(H2,88,123)(H2,89,124)(H,93,135)(H,94,136)(H,95,137)(H,96,140)(H,97,141)(H,98,142)(H,99,143)(H,100,126)(H,101,145)(H,102,127)(H,103,128)(H,104,125)(H,105,129)(H,106,144)(H,107,138)(H,108,139)(H,109,130)(H,110,131)(H,133,134)(H,150,151)(H4,90,91,92)/t38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,68-,69-/m0/s1
InChIKeyVNTTVQJNVVZFHN-RRXFZYELSA-N
XLogP-21.24
TPSA1015.66 Ų
H-Bond Donors33
H-Bond Acceptors36
Rotatable Bonds60
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002153.21
LogP ≤ 5-21.24
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1036

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 (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid?
The IUPAC name of (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid (CID 175922983) is (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid?
The InChIKey is VNTTVQJNVVZFHN-RRXFZYELSA-N. The full InChI is InChI=1S/C86H137N29O36/c1-6-38(2)68(80(145)101-39(3)70(135)93-26-61(127)102-46(14-16-58(89)124)73(138)107-47(85(150)151)10-7-17-92-86(90)91)109-64(130)29-94-71(136)45(13-15-57(88)123)106-79(144)53-12-8-18-111(53)66(132)31-99-78(143)56-22-44(122)34-115(56)84(149)69(41(5)119)110-65(131)30-98-77(142)55-21-43(121)33-114(55)83(148)51(37-118)105-63(129)28-97-76(141)54-20-42(120)32-113(54)81(146)40(4)100-60(126)25-95-72(137)48(23-67(133)134)108-74(139)49(35-116)103-62(128)27-96-75(140)52-11-9-19-112(52)82(147)50(36-117)104-59(125)24-87/h38-56,68-69,116-122H,6-37,87H2,1-5H3,(H2,88,123)(H2,89,124)(H,93,135)(H,94,136)(H,95,137)(H,96,140)(H,97,141)(H,98,142)(H,99,143)(H,100,126)(H,101,145)(H,102,127)(H,103,128)(H,104,125)(H,105,129)(H,106,144)(H,107,138)(H,108,139)(H,109,130)(H,110,131)(H,133,134)(H,150,151)(H4,90,91,92)/t38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,68-,69-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid?
(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid has a molecular weight of 2153.21 g/mol, XLogP of -21.24, 60 rotatable bonds, 33 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid is sourced from PubChem (CID 175922983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).