(2S)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]prolyl]amino]-3-methyl-butyric acid Formula: C43H65N9O13S MolecularWeight: 948.0937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C43H65N9O13S/c1-22(2)18-27(37(58)49-30(20-33(45)54)42(63)52-16-7-9-32(52)40(61)50-35(23(3)4)43(64)65)46-38(59)28(21-34(55)56)47-39(60)31-8-6-15-51(31)41(62)29(19-24-10-12-25(53)13-11-24)48-36(57)26(44)14-17-66-5/h10-13,22-23,26-32,35,53H,6-9,14-21,44H2,1-5H3,(H2,45,54)(H,46,59)(H,47,60)(H,48,57)(H,49,58)(H,50,61)(H,55,56)(H,64,65)/t26-,27-,28-,29-,30-,31-,32-,35-/m0/s1