methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate

C30H41N5O5 — CID 146223979

IUPACmethyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate
SMILESCOC(=O)N(C(=O)[C@@H](N)Cc1ccccc1OC)[C@@H](C)CCCN1C(=O)[C@@](CC(C)C)(c2ccccc2)N=C1N
InChIInChI=1S/C30H41N5O5/c1-20(2)19-30(23-14-7-6-8-15-23)27(37)34(28(32)33-30)17-11-12-21(3)35(29(38)40-5)26(36)24(31)18-22-13-9-10-16-25(22)39-4/h6-10,13-16,20-21,24H,11-12,17-19,31H2,1-5H3,(H2,32,33)/t21-,24-,30+/m0/s1
InChIKeyYYWTVQGCAUTQPN-ANFGNJKFSA-N
MW551.69 g/mol
LogP3.43
Rot. Bonds12

About methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate

methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate (PubChem CID 146223979) has the molecular formula C30H41N5O5 and a molecular weight of 551.69 g/mol. Its IUPAC name is methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate
PubChem CID146223979
Molecular FormulaC30H41N5O5
Molecular Weight551.69 g/mol
Exact Mass551.31
IUPAC Namemethyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate
SMILESCOC(=O)N(C(=O)[C@@H](N)Cc1ccccc1OC)[C@@H](C)CCCN1C(=O)[C@@](CC(C)C)(c2ccccc2)N=C1N
InChIInChI=1S/C30H41N5O5/c1-20(2)19-30(23-14-7-6-8-15-23)27(37)34(28(32)33-30)17-11-12-21(3)35(29(38)40-5)26(36)24(31)18-22-13-9-10-16-25(22)39-4/h6-10,13-16,20-21,24H,11-12,17-19,31H2,1-5H3,(H2,32,33)/t21-,24-,30+/m0/s1
InChIKeyYYWTVQGCAUTQPN-ANFGNJKFSA-N
XLogP3.43
TPSA140.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.69
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate 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 methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate (CID 146223979) is methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate is COC(=O)N(C(=O)[C@@H](N)Cc1ccccc1OC)[C@@H](C)CCCN1C(=O)[C@@](CC(C)C)(c2ccccc2)N=C1N.
What is the InChIKey of methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate?
The InChIKey is YYWTVQGCAUTQPN-ANFGNJKFSA-N. The full InChI is InChI=1S/C30H41N5O5/c1-20(2)19-30(23-14-7-6-8-15-23)27(37)34(28(32)33-30)17-11-12-21(3)35(29(38)40-5)26(36)24(31)18-22-13-9-10-16-25(22)39-4/h6-10,13-16,20-21,24H,11-12,17-19,31H2,1-5H3,(H2,32,33)/t21-,24-,30+/m0/s1.
What are the key properties of methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate?
methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate has a molecular weight of 551.69 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-amino-3-(2-methoxyphenyl)propanoyl]-N-[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]carbamate is sourced from PubChem (CID 146223979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).