N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C23H34N4O7 — CID 90400172

IUPACN-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)C1CC1
InChIInChI=1S/C23H34N4O7/c1-12(2)8-15(19(28)23(4)11-33-23)24-22(31)18(14-6-7-14)26-21(30)17(10-32-5)25-20(29)16-9-13(3)34-27-16/h9,12,14-15,17-18H,6-8,10-11H2,1-5H3,(H,24,31)(H,25,29)(H,26,30)/t15-,17-,18-,23+/m0/s1
InChIKeyGMSFWMWCKVMRRZ-AEFRCRGFSA-N
MW478.55 g/mol
LogP0.51
Rot. Bonds13

About N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 90400172) has the molecular formula C23H34N4O7 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID90400172
Molecular FormulaC23H34N4O7
Molecular Weight478.55 g/mol
Exact Mass478.24
IUPAC NameN-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)C1CC1
InChIInChI=1S/C23H34N4O7/c1-12(2)8-15(19(28)23(4)11-33-23)24-22(31)18(14-6-7-14)26-21(30)17(10-32-5)25-20(29)16-9-13(3)34-27-16/h9,12,14-15,17-18H,6-8,10-11H2,1-5H3,(H,24,31)(H,25,29)(H,26,30)/t15-,17-,18-,23+/m0/s1
InChIKeyGMSFWMWCKVMRRZ-AEFRCRGFSA-N
XLogP0.51
TPSA152.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 90400172) is N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)C1CC1.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GMSFWMWCKVMRRZ-AEFRCRGFSA-N. The full InChI is InChI=1S/C23H34N4O7/c1-12(2)8-15(19(28)23(4)11-33-23)24-22(31)18(14-6-7-14)26-21(30)17(10-32-5)25-20(29)16-9-13(3)34-27-16/h9,12,14-15,17-18H,6-8,10-11H2,1-5H3,(H,24,31)(H,25,29)(H,26,30)/t15-,17-,18-,23+/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 0.51, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90400172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).