2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(glycylamino)-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C44H63N13O18S MolecularWeight: 1094.11232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CO)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CO)NC(=O)CN

InChI

InChI=1S/C44H63N13O18S/c1-20(2)8-28(44(74)75)55-38(68)25(11-32(46)60)52-40(70)27(13-35(64)65)54-42(72)30(17-59)56-43(73)31(18-76)57-36(66)23(9-21-6-4-3-5-7-21)50-39(69)26(12-34(62)63)53-37(67)24(10-22-15-47-19-48-22)51-41(71)29(16-58)49-33(61)14-45/h3-7,15,19-20,23-31,58-59,76H,8-14,16-18,45H2,1-2H3,(H2,46,60)(H,47,48)(H,49,61)(H,50,69)(H,51,71)(H,52,70)(H,53,67)(H,54,72)(H,55,68)(H,56,73)(H,57,66)(H,62,63)(H,64,65)(H,74,75)