(4S)-4-azanyl-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-azanyl-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-amino-5-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)-1-oxopentyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C19H28N8O7 MolecularWeight: 480.47502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(CCCN=C(N)N)C(=O)NC(=O)CNC(=O)C(CCC(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N[C@@H](CCCN=C(N)N)C(=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H28N8O7/c20-13(7-8-16(29)30)17(31)24-10-15(28)26-18(32)14(2-1-9-23-19(21)22)25-11-3-5-12(6-4-11)27(33)34/h3-6,13-14,25H,1-2,7-10,20H2,(H,24,31)(H,29,30)(H4,21,22,23)(H,26,28,32)/t13-,14-/m0/s1