N-[(2R)-1-[[(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-16-oxa-1,4,7,12,19-pentazabicyclo[19.3.0]tetracosan-14-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-N-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[(2R)-1-[[(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-16-oxa-1,4,7,12,19-pentazabicyclo[19.3.0]tetracosan-14-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-N-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[(1R)-1-[[(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-16-oxa-1,4,7,12,19-pentazabicyclo[19.3.0]tetracosan-14-yl]carbamoyl]-3-methyl-butyl]-N-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide CAS Name: N-[(2R)-1-[[(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-16-oxa-1,4,7,12,19-pentazabicyclo[19.3.0]tetracosan-14-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-1-(2-methyl-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[(2R)-1-[[(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-16-oxa-1,4,7,12,19-pentazabicyclo[19.3.0]tetracosan-14-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[(1R)-1-[[(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-16-oxa-1,4,7,12,19-pentazabicyclo[19.3.0]tetracosan-14-yl]carbamoyl]-3-methyl-butyl]-1-isobutyryl-N-methyl-pyrrolidine-2-carboxamide Formula: C55H88N8O12 MolecularWeight: 1053.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(CC(=O)NC(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)C3CCCN3C(=O)C(C)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C(C)C)O

Isomeric SMILES

CC[C@H](C)[C@@H]1[C@H](CC(=O)N[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)C3CCCN3C(=O)C(C)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C(C)C)O

InChI

InChI=1S/C55H88N8O12/c1-15-34(10)46-43(64)29-44(65)57-45(32(6)7)49(67)56-38(26-30(2)3)52(70)63-25-17-19-40(63)54(72)61(13)42(28-36-20-22-37(74-14)23-21-36)55(73)75-35(11)47(50(68)58-46)59-48(66)41(27-31(4)5)60(12)53(71)39-18-16-24-62(39)51(69)33(8)9/h20-23,30-35,38-43,45-47,64H,15-19,24-29H2,1-14H3,(H,56,67)(H,57,65)(H,58,68)(H,59,66)/t34-,35+,38-,39?,40-,41+,42-,43-,45-,46+,47-/m0/s1