[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate

C16H24N4O4 — CID 175180688

IUPAC[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate
SMILESNC(=O)OCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H24N4O4/c17-12(10-11-6-2-1-3-7-11)15(22)20-13(14(18)21)8-4-5-9-24-16(19)23/h1-3,6-7,12-13H,4-5,8-10,17H2,(H2,18,21)(H2,19,23)(H,20,22)/t12-,13-/m0/s1
InChIKeyARBDZUSCQHVSQY-STQMWFEESA-N
MW336.39 g/mol
LogP-0.21
Rot. Bonds10

About [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate

[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate (PubChem CID 175180688) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate.

Molecular Properties

Compound Name[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate
PubChem CID175180688
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate
SMILESNC(=O)OCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H24N4O4/c17-12(10-11-6-2-1-3-7-11)15(22)20-13(14(18)21)8-4-5-9-24-16(19)23/h1-3,6-7,12-13H,4-5,8-10,17H2,(H2,18,21)(H2,19,23)(H,20,22)/t12-,13-/m0/s1
InChIKeyARBDZUSCQHVSQY-STQMWFEESA-N
XLogP-0.21
TPSA150.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate 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

(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
[6-amino-5-[[2-[[2-amino-5-(diaminomethylideneamino)pentyl]amino]-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate
CID 175180945
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
(2S)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 89117809
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 71351186
(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CID 175737428
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 175735177
(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 10415062
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 175797991
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892

Frequently Asked Questions

What is the IUPAC name of [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate?
The IUPAC name of [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate (CID 175180688) is [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate.
What is the SMILES notation for [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate?
The canonical SMILES for [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate is NC(=O)OCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O.
What is the InChIKey of [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate?
The InChIKey is ARBDZUSCQHVSQY-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N4O4/c17-12(10-11-6-2-1-3-7-11)15(22)20-13(14(18)21)8-4-5-9-24-16(19)23/h1-3,6-7,12-13H,4-5,8-10,17H2,(H2,18,21)(H2,19,23)(H,20,22)/t12-,13-/m0/s1.
What are the key properties of [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate?
[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate has a molecular weight of 336.39 g/mol, XLogP of -0.21, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate is sourced from PubChem (CID 175180688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).