(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminophenyl)methylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-(3-nitro-4-oxidanyl-phenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminophenyl)methylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-(3-nitro-4-oxidanyl-phenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminophenyl)methylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-(4-hydroxy-3-nitro-phenyl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminophenyl)methylamino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminophenyl)methylamino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminobenzyl)amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-(4-hydroxy-3-nitro-phenyl)propanoyl]amino]-5-keto-valeric acid Formula: C36H51N9O12 MolecularWeight: 801.84324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)NC(CCC(=O)O)C(=O)N)NCC2=CC=CC=C2N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)N[C@@H](CCC(=O)O)C(=O)N)NCC2=CC=CC=C2N

InChI

InChI=1S/C36H51N9O12/c1-5-18(2)30(39-16-22-8-6-7-9-23(22)37)36(55)41-20(4)33(52)44-26(17-46)35(54)40-19(3)32(51)43-25(14-21-10-12-28(47)27(15-21)45(56)57)34(53)42-24(31(38)50)11-13-29(48)49/h6-10,12,15,18-20,24-26,30,39,46-47H,5,11,13-14,16-17,37H2,1-4H3,(H2,38,50)(H,40,54)(H,41,55)(H,42,53)(H,43,51)(H,44,52)(H,48,49)/t18-,19-,20-,24-,25-,26-,30-/m0/s1