(2S)-6-azanyl-2-[[2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-N-(4-nitrophenyl)hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-N-(4-nitrophenyl)hexanamide Openeye Name: (2S)-6-amino-2-[[2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-N-(4-nitrophenyl)hexanamide CAS Name: (2S)-6-amino-2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-N-(4-nitrophenyl)hexanamide IUPAC Name: (2S)-6-amino-2-[[2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide Traditional Name: (2S)-6-amino-2-[[2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-N-(4-nitrophenyl)hexanamide Formula: C23H38N6O5 MolecularWeight: 478.58502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)N[C@@H](CCCCN)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@@H](C(C)C)N

InChI

InChI=1S/C23H38N6O5/c1-5-15(4)20(28-22(31)19(25)14(2)3)23(32)27-18(8-6-7-13-24)21(30)26-16-9-11-17(12-10-16)29(33)34/h9-12,14-15,18-20H,5-8,13,24-25H2,1-4H3,(H,26,30)(H,27,32)(H,28,31)/t15?,18-,19+,20?/m0/s1