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

C33H41N5O4 — CID 146000932

IUPACmethyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)CCCN1C(=O)[C@@](CC(C)C)(c2ccccc2)N=C1N
InChIInChI=1S/C33H41N5O4/c1-22(2)21-33(27-14-6-5-7-15-27)30(40)38(31(34)37-33)18-10-11-23(3)35-29(39)28(36-32(41)42-4)20-24-16-17-25-12-8-9-13-26(25)19-24/h5-9,12-17,19,22-23,28H,10-11,18,20-21H2,1-4H3,(H2,34,37)(H,35,39)(H,36,41)/t23-,28-,33+/m0/s1
InChIKeyCJYHNUNTBXZBJO-BWCQQFSXSA-N
MW571.72 g/mol
LogP4.49
Rot. Bonds12

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

methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (PubChem CID 146000932) has the molecular formula C33H41N5O4 and a molecular weight of 571.72 g/mol. Its IUPAC name is methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
PubChem CID146000932
Molecular FormulaC33H41N5O4
Molecular Weight571.72 g/mol
Exact Mass571.32
IUPAC Namemethyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)CCCN1C(=O)[C@@](CC(C)C)(c2ccccc2)N=C1N
InChIInChI=1S/C33H41N5O4/c1-22(2)21-33(27-14-6-5-7-15-27)30(40)38(31(34)37-33)18-10-11-23(3)35-29(39)28(36-32(41)42-4)20-24-16-17-25-12-8-9-13-26(25)19-24/h5-9,12-17,19,22-23,28H,10-11,18,20-21H2,1-4H3,(H2,34,37)(H,35,39)(H,36,41)/t23-,28-,33+/m0/s1
InChIKeyCJYHNUNTBXZBJO-BWCQQFSXSA-N
XLogP4.49
TPSA126.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.72
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (CID 146000932) is methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)CCCN1C(=O)[C@@](CC(C)C)(c2ccccc2)N=C1N.
What is the InChIKey of methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is CJYHNUNTBXZBJO-BWCQQFSXSA-N. The full InChI is InChI=1S/C33H41N5O4/c1-22(2)21-33(27-14-6-5-7-15-27)30(40)38(31(34)37-33)18-10-11-23(3)35-29(39)28(36-32(41)42-4)20-24-16-17-25-12-8-9-13-26(25)19-24/h5-9,12-17,19,22-23,28H,10-11,18,20-21H2,1-4H3,(H2,34,37)(H,35,39)(H,36,41)/t23-,28-,33+/m0/s1.
What are the key properties of methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 571.72 g/mol, XLogP of 4.49, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[[(2S)-5-[(4R)-2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 146000932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).