(4S)-4-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-5-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-5-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-5-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)-1-oxopentyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-5-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C27H41N9O9 MolecularWeight: 635.66934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N9O9/c1-4-15(2)23(32-16(3)37)26(43)34-20(11-12-22(39)40)24(41)31-14-21(38)35-25(42)19(6-5-13-30-27(28)29)33-17-7-9-18(10-8-17)36(44)45/h7-10,15,19-20,23,33H,4-6,11-14H2,1-3H3,(H,31,41)(H,32,37)(H,34,43)(H,39,40)(H4,28,29,30)(H,35,38,42)/t15-,19-,20-,23-/m0/s1