2-[[2-[[2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C31H50N10O9S MolecularWeight: 738.8553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50N10O9S/c1-15(2)11-23(30(49)50)41-28(47)21(12-17-6-8-18(42)9-7-17)40-27(46)20(5-4-10-36-31(34)35)38-29(48)22(13-24(33)43)39-25(44)16(3)37-26(45)19(32)14-51/h6-9,15-16,19-23,42,51H,4-5,10-14,32H2,1-3H3,(H2,33,43)(H,37,45)(H,38,48)(H,39,44)(H,40,46)(H,41,47)(H,49,50)(H4,34,35,36)