2-[[2-[[2-[[2-[[4-azanyl-2-[2-[[2-[[2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[4-azanyl-2-[2-[[2-[[2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[4-amino-2-[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoylamino]-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[4-amino-2-[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[4-amino-2-[2-[[2-[[2-[[2-(glycylamino)-3-phenyl-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-mercapto-propanoyl]amino]propanoylamino]-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C44H67N11O17S MolecularWeight: 1054.13128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN

InChI

InChI=1S/C44H67N11O17S/c1-20(2)13-28(44(71)72)52-43(70)35(21(3)4)55-41(68)29(18-56)53-37(64)24(11-12-33(59)60)49-39(66)26(15-31(46)57)50-36(63)22(5)47-42(69)30(19-73)54-40(67)27(16-34(61)62)51-38(65)25(48-32(58)17-45)14-23-9-7-6-8-10-23/h6-10,20-22,24-30,35,56,73H,11-19,45H2,1-5H3,(H2,46,57)(H,47,69)(H,48,58)(H,49,66)(H,50,63)(H,51,65)(H,52,70)(H,53,64)(H,54,67)(H,55,68)(H,59,60)(H,61,62)(H,71,72)