(2R)-2-[[(2R)-2-azanyl-3-(3-methoxyphenyl)propanoyl]-methyl-amino]-N-[(2S,3R)-1-cyclohexyl-5-[[6-(3-methylbutylamino)-6-oxidanylidene-hexyl]amino]-3-oxidanyl-5-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2R)-2-[[(2R)-2-azanyl-3-(3-methoxyphenyl)propanoyl]-methyl-amino]-N-[(2S,3R)-1-cyclohexyl-5-[[6-(3-methylbutylamino)-6-oxidanylidene-hexyl]amino]-3-oxidanyl-5-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide Openeye Name: (2R)-2-[[(2R)-2-amino-3-(3-methoxyphenyl)propanoyl]-methyl-amino]-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-4-[[6-(isopentylamino)-6-oxo-hexyl]amino]-4-oxo-butyl]-4-methyl-pentanamide CAS Name: (2R)-2-[[(2R)-2-amino-3-(3-methoxyphenyl)-1-oxopropyl]-methylamino]-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-5-[[6-(3-methylbutylamino)-6-oxohexyl]amino]-5-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: (2R)-2-[[(2R)-2-amino-3-(3-methoxyphenyl)propanoyl]-methylamino]-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-5-[[6-(3-methylbutylamino)-6-oxohexyl]amino]-5-oxopentan-2-yl]-4-methylpentanamide Traditional Name: (2R)-2-[[(2R)-2-amino-3-(3-methoxyphenyl)propanoyl]-methyl-amino]-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-4-[[6-(isoamylamino)-6-keto-hexyl]amino]-4-keto-butyl]-4-methyl-valeramide Formula: C39H67N5O6 MolecularWeight: 701.97918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCCCNC(=O)CC(C(CC1CCCCC1)NC(=O)C(CC(C)C)N(C)C(=O)C(CC2=CC(=CC=C2)OC)N)O

Isomeric SMILES

CC(C)CCNC(=O)CCCCCNC(=O)C[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC2=CC(=CC=C2)OC)N)O

InChI

InChI=1S/C39H67N5O6/c1-27(2)19-21-42-36(46)18-11-8-12-20-41-37(47)26-35(45)33(25-29-14-9-7-10-15-29)43-38(48)34(22-28(3)4)44(5)39(49)32(40)24-30-16-13-17-31(23-30)50-6/h13,16-17,23,27-29,32-35,45H,7-12,14-15,18-22,24-26,40H2,1-6H3,(H,41,47)(H,42,46)(H,43,48)/t32-,33+,34-,35-/m1/s1