N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

C33H52N8O7 — CID 91398343

About N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (PubChem CID 91398343) has the molecular formula C33H52N8O7 and a molecular weight of 672.83 g/mol. Its IUPAC name is N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 91398343
• Molecular Formula: C33H52N8O7
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.40
• IUPAC Name: N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
• SMILES: CC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@](N)(CC(C)C)NC(=O)c1cnccn1)[C@H](C)CC)C(=O)C(=O)NCC=O
• InChI: InChI=1S/C33H52N8O7/c1-6-21(5)26(40-32(48)33(34,18-20(3)4)41-29(45)25-19-35-13-14-36-25)30(46)39-24(17-22-11-9-8-10-12-22)28(44)38-23(7-2)27(43)31(47)37-15-16-42/h13-14,16,19-24,26H,6-12,15,17-18,34H2,1-5H3,(H,37,47)(H,38,44)(H,39,46)(H,40,48)(H,41,45)/t21-,23+,24+,26+,33+/m1/s1
• InChIKey: FUIJYJKZCJPHEZ-BMFZBTGJSA-N
• XLogP: 0.67
• TPSA: 231.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (CID 91398343) is N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is CC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@](N)(CC(C)C)NC(=O)c1cnccn1)[C@H](C)CC)C(=O)C(=O)NCC=O.

What is the InChIKey of N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The InChIKey is FUIJYJKZCJPHEZ-BMFZBTGJSA-N. The full InChI is InChI=1S/C33H52N8O7/c1-6-21(5)26(40-32(48)33(34,18-20(3)4)41-29(45)25-19-35-13-14-36-25)30(46)39-24(17-22-11-9-8-10-12-22)28(44)38-23(7-2)27(43)31(47)37-15-16-42/h13-14,16,19-24,26H,6-12,15,17-18,34H2,1-5H3,(H,37,47)(H,38,44)(H,39,46)(H,40,48)(H,41,45)/t21-,23+,24+,26+,33+/m1/s1.

What are the key properties of N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide has a molecular weight of 672.83 g/mol, XLogP of 0.67, 19 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-amino-1-[[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(2-oxoethylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91398343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).