2-[2-[2-[[2-[[4-azanyl-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[2-[[2-[[4-azanyl-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-4-oxo-butanoyl)amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-1,4-dioxobutyl)amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-4-keto-butanoyl)amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoylamino]-3-methyl-valeric acid Formula: C28H42N8O9 MolecularWeight: 634.68128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C28H42N8O9/c1-4-14(2)23(28(44)45)36-24(40)15(3)33-22(39)13-32-26(42)18(10-16-8-6-5-7-9-16)35-27(43)19(12-21(31)38)34-25(41)17(29)11-20(30)37/h5-9,14-15,17-19,23H,4,10-13,29H2,1-3H3,(H2,30,37)(H2,31,38)(H,32,42)(H,33,39)(H,34,41)(H,35,43)(H,36,40)(H,44,45)