(2R)-2-[(2-azanyl-3-methyl-butanoyl)-methyl-amino]-N-[(3S,6S,10S,11R,14S,15R,18S,21S)-11-[(2S)-butan-2-yl]-18-[(4-methoxyphenyl)methyl]-15,19-dimethyl-3-(2-methylpropyl)-10-oxidanyl-2,5,8,13,17,20-hexakis(oxidanylidene)-6-propan-2-yl-7,16-dioxa-1,4,12,19-tetrazabicyclo[19.3.0]tetracosan-14-yl]-4-methyl-pentanamide

Systemtic Name: (2R)-2-[(2-azanyl-3-methyl-butanoyl)-methyl-amino]-N-[(3S,6S,10S,11R,14S,15R,18S,21S)-11-[(2S)-butan-2-yl]-18-[(4-methoxyphenyl)methyl]-15,19-dimethyl-3-(2-methylpropyl)-10-oxidanyl-2,5,8,13,17,20-hexakis(oxidanylidene)-6-propan-2-yl-7,16-dioxa-1,4,12,19-tetrazabicyclo[19.3.0]tetracosan-14-yl]-4-methyl-pentanamide Openeye Name: (2R)-2-[(2-amino-3-methyl-butanoyl)-methyl-amino]-N-[(3S,6S,10S,11R,14S,15R,18S,21S)-10-hydroxy-3-isobutyl-6-isopropyl-18-[(4-methoxyphenyl)methyl]-15,19-dimethyl-11-[(1S)-1-methylpropyl]-2,5,8,13,17,20-hexaoxo-7,16-dioxa-1,4,12,19-tetrazabicyclo[19.3.0]tetracosan-14-yl]-4-methyl-pentanamide CAS Name: (2R)-2-[(2-amino-3-methyl-1-oxobutyl)-methylamino]-N-[(3S,6S,10S,11R,14S,15R,18S,21S)-11-[(2S)-butan-2-yl]-10-hydroxy-18-[(4-methoxyphenyl)methyl]-15,19-dimethyl-3-(2-methylpropyl)-2,5,8,13,17,20-hexaoxo-6-propan-2-yl-7,16-dioxa-1,4,12,19-tetrazabicyclo[19.3.0]tetracosan-14-yl]-4-methylpentanamide IUPAC Name: (2R)-2-[(2-amino-3-methylbutanoyl)-methylamino]-N-[(3S,6S,10S,11R,14S,15R,18S,21S)-11-[(2S)-butan-2-yl]-10-hydroxy-18-[(4-methoxyphenyl)methyl]-15,19-dimethyl-3-(2-methylpropyl)-2,5,8,13,17,20-hexaoxo-6-propan-2-yl-7,16-dioxa-1,4,12,19-tetrazabicyclo[19.3.0]tetracosan-14-yl]-4-methylpentanamide Traditional Name: (2R)-2-[(2-amino-3-methyl-butanoyl)-methyl-amino]-N-[(3S,6S,10S,11R,14S,15R,18S,21S)-10-hydroxy-3-isobutyl-6-isopropyl-2,5,8,13,17,20-hexaketo-15,19-dimethyl-11-[(1S)-1-methylpropyl]-18-p-anisyl-7,16-dioxa-1,4,12,19-tetrazabicyclo[19.3.0]tetracosan-14-yl]-4-methyl-valeramide Formula: C51H83N7O12 MolecularWeight: 986.24442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(CC(=O)OC(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C(C)C)O

Isomeric SMILES

CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)C(C(C)C)N)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C(C)C)O

InChI

InChI=1S/C51H83N7O12/c1-15-31(10)42-39(59)26-40(60)70-44(30(8)9)47(63)53-35(23-27(2)3)48(64)58-22-16-17-36(58)49(65)57(13)38(25-33-18-20-34(68-14)21-19-33)51(67)69-32(11)43(46(62)54-42)55-45(61)37(24-28(4)5)56(12)50(66)41(52)29(6)7/h18-21,27-32,35-39,41-44,59H,15-17,22-26,52H2,1-14H3,(H,53,63)(H,54,62)(H,55,61)/t31-,32+,35-,36-,37+,38-,39-,41?,42+,43-,44-/m0/s1