methyl 6-methyl-4-[2-[[6-methyl-4-[4-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]butanoylamino]-3-oxidanyl-heptanoyl]amino]propanoylamino]-3-oxidanyl-heptanoate

Systemtic Name: methyl 6-methyl-4-[2-[[6-methyl-4-[4-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]butanoylamino]-3-oxidanyl-heptanoyl]amino]propanoylamino]-3-oxidanyl-heptanoate Openeye Name: methyl 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[4-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]butanoylamino]heptanoyl]amino]propanoylamino]-6-methyl-heptanoate CAS Name: 3-hydroxy-4-[[2-[[3-hydroxy-6-methyl-4-[[4-[[2-[(3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxobutyl]amino]-1-oxoheptyl]amino]-1-oxopropyl]amino]-6-methylheptanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[4-[[2-(3-methylbutanoylamino)-3-phenylpropanoyl]amino]butanoylamino]heptanoyl]amino]propanoylamino]-6-methylheptanoate Traditional Name: 3-hydroxy-4-[2-[[3-hydroxy-4-[4-[[2-(isovalerylamino)-3-phenyl-propanoyl]amino]butanoylamino]-6-methyl-heptanoyl]amino]propanoylamino]-6-methyl-enanthic acid methyl ester Formula: C38H63N5O9 MolecularWeight: 733.93492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C)C(=O)NC(CC(C)C)C(CC(=O)OC)O)O)NC(=O)CCCNC(=O)C(CC1=CC=CC=C1)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C)C(=O)NC(CC(C)C)C(CC(=O)OC)O)O)NC(=O)CCCNC(=O)C(CC1=CC=CC=C1)NC(=O)CC(C)C

InChI

InChI=1S/C38H63N5O9/c1-23(2)17-28(31(44)21-35(48)40-26(7)37(50)43-29(18-24(3)4)32(45)22-36(49)52-8)41-33(46)15-12-16-39-38(51)30(42-34(47)19-25(5)6)20-27-13-10-9-11-14-27/h9-11,13-14,23-26,28-32,44-45H,12,15-22H2,1-8H3,(H,39,51)(H,40,48)(H,41,46)(H,42,47)(H,43,50)