3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide

C27H35N3O8 — CID 157203629

About 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 157203629) has the molecular formula C27H35N3O8 and a molecular weight of 529.59 g/mol. Its IUPAC name is 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 157203629
• Molecular Formula: C27H35N3O8
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.24
• IUPAC Name: 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide
• SMILES: COCC(CC(=O)[C@H](COC)NC(=O)c1cc(OC)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CC1
• InChI: InChI=1S/C27H35N3O8/c1-27(10-11-27)24(32)19(12-17-8-6-5-7-9-17)28-25(33)18(15-35-2)13-21(31)20(16-36-3)29-26(34)22-14-23(37-4)30-38-22/h5-9,14,18-20H,10-13,15-16H2,1-4H3,(H,28,33)(H,29,34)/t18?,19-,20-/m0/s1
• InChIKey: QRWIQXGNNPVSBH-YPJRHXLCSA-N
• XLogP: 1.75
• TPSA: 146.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide (CID 157203629) is 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide is COCC(CC(=O)[C@H](COC)NC(=O)c1cc(OC)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CC1.

What is the InChIKey of 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is QRWIQXGNNPVSBH-YPJRHXLCSA-N. The full InChI is InChI=1S/C27H35N3O8/c1-27(10-11-27)24(32)19(12-17-8-6-5-7-9-17)28-25(33)18(15-35-2)13-21(31)20(16-36-3)29-26(34)22-14-23(37-4)30-38-22/h5-9,14,18-20H,10-13,15-16H2,1-4H3,(H,28,33)(H,29,34)/t18?,19-,20-/m0/s1.

What are the key properties of 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide?

3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 529.59 g/mol, XLogP of 1.75, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 157203629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).