(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide

C30H46N10O3 — CID 16735825

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide
SMILESCC(C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C30H46N10O3/c1-19(2)38-27(42)24(11-7-17-37-30(34)35)39-28(43)25(40-26(41)23(31)10-6-16-36-29(32)33)18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-5,8-9,12-15,19,23-25H,6-7,10-11,16-18,31H2,1-2H3,(H,38,42)(H,39,43)(H,40,41)(H4,32,33,36)(H4,34,35,37)/t23-,24-,25-/m0/s1
InChIKeyHGNVYDHENWPCPD-SDHOMARFSA-N
MW594.77 g/mol
LogP-0.18
Rot. Bonds17

About (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide

(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide (PubChem CID 16735825) has the molecular formula C30H46N10O3 and a molecular weight of 594.77 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide
PubChem CID16735825
Molecular FormulaC30H46N10O3
Molecular Weight594.77 g/mol
Exact Mass594.38
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide
SMILESCC(C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C30H46N10O3/c1-19(2)38-27(42)24(11-7-17-37-30(34)35)39-28(43)25(40-26(41)23(31)10-6-16-36-29(32)33)18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-5,8-9,12-15,19,23-25H,6-7,10-11,16-18,31H2,1-2H3,(H,38,42)(H,39,43)(H,40,41)(H4,32,33,36)(H4,34,35,37)/t23-,24-,25-/m0/s1
InChIKeyHGNVYDHENWPCPD-SDHOMARFSA-N
XLogP-0.18
TPSA242.12 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.77
LogP ≤ 5-0.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

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-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide (CID 16735825) is (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide is CC(C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide?
The InChIKey is HGNVYDHENWPCPD-SDHOMARFSA-N. The full InChI is InChI=1S/C30H46N10O3/c1-19(2)38-27(42)24(11-7-17-37-30(34)35)39-28(43)25(40-26(41)23(31)10-6-16-36-29(32)33)18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-5,8-9,12-15,19,23-25H,6-7,10-11,16-18,31H2,1-2H3,(H,38,42)(H,39,43)(H,40,41)(H4,32,33,36)(H4,34,35,37)/t23-,24-,25-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide?
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide has a molecular weight of 594.77 g/mol, XLogP of -0.18, 17 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide is sourced from PubChem (CID 16735825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).