2-[[2-[2-[[2-[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[[2-[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid Traditional Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[2-(alanylamino)-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]acetic acid Formula: C37H64N14O11 MolecularWeight: 880.99126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CO)NC(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CO)NC(=O)C(C)N

InChI

InChI=1S/C37H64N14O11/c1-18(2)10-24(49-35(61)26(12-22-13-41-17-45-22)50-36(62)27(16-52)51-30(56)20(5)38)33(59)43-14-28(53)47-25(11-19(3)4)34(60)46-21(6)31(57)48-23(8-7-9-42-37(39)40)32(58)44-15-29(54)55/h13,17-21,23-27,52H,7-12,14-16,38H2,1-6H3,(H,41,45)(H,43,59)(H,44,58)(H,46,60)(H,47,53)(H,48,57)(H,49,61)(H,50,62)(H,51,56)(H,54,55)(H4,39,40,42)