2-[[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-mercapto-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[5-guanidino-2-[[3-mercapto-2-(phenylalanylamino)propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C33H48N8O6S MolecularWeight: 684.84922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C33H48N8O6S/c1-20(2)16-26(32(46)47)40-30(44)25(18-22-12-7-4-8-13-22)39-29(43)24(14-9-15-37-33(35)36)38-31(45)27(19-48)41-28(42)23(34)17-21-10-5-3-6-11-21/h3-8,10-13,20,23-27,48H,9,14-19,34H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)(H,41,42)(H,46,47)(H4,35,36,37)