3-azanyl-4-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[1-[[1-[[2-[[2-[2-[[1-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-[[1-[[2-[[1-[2-[[[1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[1-[[1-[[2-[[2-[2-[[1-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-keto-butyric acid Formula: C46H73N9O13 MolecularWeight: 960.12432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C46H73N9O13/c1-23(2)17-31(50-39(60)30(47)21-37(58)59)40(61)51-33(19-25(5)6)42(63)54-38(26(7)8)44(65)48-22-36(57)49-27(9)45(66)55-16-10-11-35(55)43(64)52-32(18-24(3)4)41(62)53-34(46(67)68)20-28-12-14-29(56)15-13-28/h12-15,23-27,30-35,38,56H,10-11,16-22,47H2,1-9H3,(H,48,65)(H,49,57)(H,50,60)(H,51,61)(H,52,64)(H,53,62)(H,54,63)(H,58,59)(H,67,68)