(2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide

C26H28N6O9 — CID 24984277

About (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide

(2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide (PubChem CID 24984277) has the molecular formula C26H28N6O9 and a molecular weight of 568.54 g/mol. Its IUPAC name is (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide.

Molecular Properties

• Compound Name: (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide
• PubChem CID: 24984277
• Molecular Formula: C26H28N6O9
• Molecular Weight: 568.54 g/mol
• Exact Mass: 568.19
• IUPAC Name: (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide
• SMILES: NC(=O)CNC(=O)[C@@H]1O[C@H]1C(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](C(N)=O)C1Cc2ccccc2C1
• InChI: InChI=1S/C26H28N6O9/c27-19(34)11-29-25(37)21-22(41-21)26(38)30-16(7-12-5-6-18(33)17(8-12)32(39)40)24(36)31-20(23(28)35)15-9-13-3-1-2-4-14(13)10-15/h1-6,8,15-16,20-22,33H,7,9-11H2,(H2,27,34)(H2,28,35)(H,29,37)(H,30,38)(H,31,36)/t16-,20-,21-,22-/m1/s1
• InChIKey: PSRMQVVCBUVDAP-XUFNMVPLSA-N
• XLogP: -1.92
• TPSA: 249.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.54
LogP ≤ 5	-1.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide?

The IUPAC name of (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide (CID 24984277) is (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide.

What is the SMILES notation for (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide?

The canonical SMILES for (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide is NC(=O)CNC(=O)[C@@H]1O[C@H]1C(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](C(N)=O)C1Cc2ccccc2C1.

What is the InChIKey of (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide?

The InChIKey is PSRMQVVCBUVDAP-XUFNMVPLSA-N. The full InChI is InChI=1S/C26H28N6O9/c27-19(34)11-29-25(37)21-22(41-21)26(38)30-16(7-12-5-6-18(33)17(8-12)32(39)40)24(36)31-20(23(28)35)15-9-13-3-1-2-4-14(13)10-15/h1-6,8,15-16,20-22,33H,7,9-11H2,(H2,27,34)(H2,28,35)(H,29,37)(H,30,38)(H,31,36)/t16-,20-,21-,22-/m1/s1.

What are the key properties of (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide?

(2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide has a molecular weight of 568.54 g/mol, XLogP of -1.92, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2-N-[(2R)-1-[[(1R)-2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-N-(2-amino-2-oxoethyl)oxirane-2,3-dicarboxamide is sourced from PubChem (CID 24984277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).