(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide

C38H62N8O4 — CID 46936743

IUPAC(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide
SMILESCCCCC(CNNC[C@H](CCCC)C(=O)N[C@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1
InChIInChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30?,33+,34-/m0/s1
InChIKeyYFMXWONORHSZEM-WTPJSRHXSA-N
MW694.97 g/mol
LogP4.20
Rot. Bonds27

About (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide

(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide (PubChem CID 46936743) has the molecular formula C38H62N8O4 and a molecular weight of 694.97 g/mol. Its IUPAC name is (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide
PubChem CID46936743
Molecular FormulaC38H62N8O4
Molecular Weight694.97 g/mol
Exact Mass694.49
IUPAC Name(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide
SMILESCCCCC(CNNC[C@H](CCCC)C(=O)N[C@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1
InChIInChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30?,33+,34-/m0/s1
InChIKeyYFMXWONORHSZEM-WTPJSRHXSA-N
XLogP4.20
TPSA192.50 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.97
LogP ≤ 54.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-8-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenyloctanamide
CID 73354606
(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
CID 91424137
6-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-N-(4-methylphenyl)hexanamide
CID 135202870
N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide
CID 10184271
[(2S)-6-amino-1-(2-methylanilino)-1-oxohexan-2-yl]carbamic acid
CID 91260086
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
N-[(2S)-6-amino-1-(4-methylanilino)-1-oxohexan-2-yl]-2-phenylbenzamide
CID 91127715
(2S)-6-amino-2-(2,3-dimethylbutanoylamino)-N-(4-formylphenyl)hexanamide
CID 163276472
acetic acid;tert-butyl N-[(2S)-6-amino-1-(4-ethylanilino)-1-oxohexan-2-yl]carbamate
CID 158633457
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
2-tert-butyl-N-phenylheptanamide
CID 67683128
(2S)-6-amino-2-[(2-amino-3-phenylpropanoyl)amino]-N-[4-(methylaminooxymethyl)phenyl]hexanamide
CID 144894754

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide?
The IUPAC name of (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide (CID 46936743) is (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide.
What is the SMILES notation for (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide?
The canonical SMILES for (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide is CCCCC(CNNC[C@H](CCCC)C(=O)N[C@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide?
The InChIKey is YFMXWONORHSZEM-WTPJSRHXSA-N. The full InChI is InChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30?,33+,34-/m0/s1.
What are the key properties of (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide?
(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide has a molecular weight of 694.97 g/mol, XLogP of 4.20, 27 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide is sourced from PubChem (CID 46936743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).