(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide

C53H82N14O11S2 — CID 42640972

IUPAC(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](CS)N(C)c1ccc(OC)cc1)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C53H82N14O11S2/c1-8-29(3)42(64-47(72)36(25-32-15-11-10-12-16-32)61-51(76)43(30(4)9-2)65-49(74)40(28-80)66(6)33-19-21-34(78-7)22-20-33)50(75)62-37(26-41(54)68)46(71)63-38(27-79)52(77)67-24-14-18-39(67)48(73)60-35(17-13-23-58-53(56)57)45(70)59-31(5)44(55)69/h10-12,15-16,19-22,29-31,35-40,42-43,79-80H,8-9,13-14,17-18,23-28H2,1-7H3,(H2,54,68)(H2,55,69)(H,59,70)(H,60,73)(H,61,76)(H,62,75)(H,63,71)(H,64,72)(H,65,74)(H4,56,57,58)/t29-,30-,31-,35-,36-,37-,38-,39-,40-,42-,43+/m0/s1
InChIKeyQCBACJNLIGCIBC-IBNVBGNWSA-N
MW1155.46 g/mol
LogP-1.49
Rot. Bonds33

About (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide

(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide (PubChem CID 42640972) has the molecular formula C53H82N14O11S2 and a molecular weight of 1155.46 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide
PubChem CID42640972
Molecular FormulaC53H82N14O11S2
Molecular Weight1155.46 g/mol
Exact Mass1154.57
IUPAC Name(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](CS)N(C)c1ccc(OC)cc1)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C53H82N14O11S2/c1-8-29(3)42(64-47(72)36(25-32-15-11-10-12-16-32)61-51(76)43(30(4)9-2)65-49(74)40(28-80)66(6)33-19-21-34(78-7)22-20-33)50(75)62-37(26-41(54)68)46(71)63-38(27-79)52(77)67-24-14-18-39(67)48(73)60-35(17-13-23-58-53(56)57)45(70)59-31(5)44(55)69/h10-12,15-16,19-22,29-31,35-40,42-43,79-80H,8-9,13-14,17-18,23-28H2,1-7H3,(H2,54,68)(H2,55,69)(H,59,70)(H,60,73)(H,61,76)(H,62,75)(H,63,71)(H,64,72)(H,65,74)(H4,56,57,58)/t29-,30-,31-,35-,36-,37-,38-,39-,40-,42-,43+/m0/s1
InChIKeyQCBACJNLIGCIBC-IBNVBGNWSA-N
XLogP-1.49
TPSA387.06 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.46
LogP ≤ 5-1.49
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
CID 155568062
(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 100978733
(4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 175877125
(2S)-N-[(2S)-4-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
CID 57357480
2-[[2-[[1-[2-[[1-[2-[2-[[2-[[2-[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
CID 20832688
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 25256365
(3S)-3-[[2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-acetamido-3-methyl-3-sulfanylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 10011538
(2S)-1-acetyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 5495638
(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]butanediamide
CID 171904668
(4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(1S)-1-carboxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 175840374
(3R)-4-[[(2R)-1-[[(2S)-1-[[(2S)-3-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid
CID 25079117
(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 11586045

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide?
The IUPAC name of (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide (CID 42640972) is (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide.
What is the SMILES notation for (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide?
The canonical SMILES for (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide is CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](CS)N(C)c1ccc(OC)cc1)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide?
The InChIKey is QCBACJNLIGCIBC-IBNVBGNWSA-N. The full InChI is InChI=1S/C53H82N14O11S2/c1-8-29(3)42(64-47(72)36(25-32-15-11-10-12-16-32)61-51(76)43(30(4)9-2)65-49(74)40(28-80)66(6)33-19-21-34(78-7)22-20-33)50(75)62-37(26-41(54)68)46(71)63-38(27-79)52(77)67-24-14-18-39(67)48(73)60-35(17-13-23-58-53(56)57)45(70)59-31(5)44(55)69/h10-12,15-16,19-22,29-31,35-40,42-43,79-80H,8-9,13-14,17-18,23-28H2,1-7H3,(H2,54,68)(H2,55,69)(H,59,70)(H,60,73)(H,61,76)(H,62,75)(H,63,71)(H,64,72)(H,65,74)(H4,56,57,58)/t29-,30-,31-,35-,36-,37-,38-,39-,40-,42-,43+/m0/s1.
What are the key properties of (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide?
(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide has a molecular weight of 1155.46 g/mol, XLogP of -1.49, 33 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R,3S)-2-[[(2R)-2-(4-methoxy-N-methylanilino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide is sourced from PubChem (CID 42640972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).