(2S)-N-[(2R)-1-[[(3S,6S,8S,12S,17S,20S,24S)-13-butan-2-yl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,23-heptakis(oxidanylidene)-8-propan-2-yl-9-oxa-1,4,14,21-tetrazabicyclo[22.3.0]heptacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-N-methyl-1-(2-oxidanylidenepropanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,17S,20S,24S)-13-butan-2-yl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,23-heptakis(oxidanylidene)-8-propan-2-yl-9-oxa-1,4,14,21-tetrazabicyclo[22.3.0]heptacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-N-methyl-1-(2-oxidanylidenepropanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,17S,20S,24S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-2,5,7,10,15,19,23-heptaoxo-13-sec-butyl-9-oxa-1,4,14,21-tetrazabicyclo[22.3.0]heptacosan-16-yl]carbamoyl]-3-methyl-butyl]-N-methyl-1-(2-oxopropanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,17S,20S,24S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,23-heptaoxo-8-propan-2-yl-9-oxa-1,4,14,21-tetrazabicyclo[22.3.0]heptacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-(1,2-dioxopropyl)-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,17S,20S,24S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,23-heptaoxo-8-propan-2-yl-9-oxa-1,4,14,21-tetrazabicyclo[22.3.0]heptacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-1-(2-oxopropanoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,17S,20S,24S)-12-hydroxy-3-isobutyl-8-isopropyl-2,5,7,10,15,19,23-heptaketo-6,17,21-trimethyl-20-p-anisyl-13-sec-butyl-9-oxa-1,4,14,21-tetrazabicyclo[22.3.0]heptacosan-16-yl]carbamoyl]-3-methyl-butyl]-N-methyl-1-pyruvoyl-pyrrolidine-2-carboxamide Formula: C59H91N7O14 MolecularWeight: 1122.39234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)CN(C(C(=O)CC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O

Isomeric SMILES

CCC(C)C1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)CN([C@H](C(=O)C[C@@H](C(C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O

InChI

InChI=1S/C59H91N7O14/c1-15-35(8)50-47(69)30-49(71)80-53(34(6)7)52(72)37(10)54(73)60-41(26-32(2)3)58(77)65-24-16-18-42(65)48(70)31-63(12)44(29-39-20-22-40(79-14)23-21-39)46(68)28-36(9)51(56(75)61-50)62-55(74)45(27-33(4)5)64(13)59(78)43-19-17-25-66(43)57(76)38(11)67/h20-23,32-37,41-45,47,50-51,53,69H,15-19,24-31H2,1-14H3,(H,60,73)(H,61,75)(H,62,74)/t35?,36-,37-,41-,42-,43-,44-,45+,47-,50?,51?,53-/m0/s1