[(2R)-1-[(2S)-2-[[(2S)-1-[[(3R,16R,17S,20S,23S)-13-butan-2-yl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl] 5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: [(2R)-1-[(2S)-2-[[(2S)-1-[[(3R,16R,17S,20S,23S)-13-butan-2-yl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl] 5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: [(1R)-2-[(2S)-2-[[(1S)-1-[[(3R,16R,17S,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-2,5,7,10,15,19,22-heptaoxo-13-sec-butyl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl] 5-oxopyrrolidine-2-carboxylate CAS Name: 5-oxo-2-pyrrolidinecarboxylic acid [(2R)-1-[(2S)-2-[[[(2S)-1-[[(3R,16R,17S,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2S)-2-[[(2S)-1-[[(3R,16R,17S,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate Traditional Name: 5-ketopyrrolidine-2-carboxylic acid [(1R)-2-[(2S)-2-[[(1S)-1-[[(3R,16R,17S,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-2,5,7,10,15,19,22-heptaketo-6,17,21-trimethyl-20-p-anisyl-13-sec-butyl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl] ester Formula: C62H94N8O17 MolecularWeight: 1223.45316

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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)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)OC(=O)C4CCC(=O)N4)C)CC5=CC=C(C=C5)OC)C)CC(C)C)C)C(C)C)O

Isomeric SMILES

CCC(C)C1C(CC(=O)OC(C(=O)C(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@@H]3CCCN3C(=O)[C@@H](C)OC(=O)C4CCC(=O)N4)C)CC5=CC=C(C=C5)OC)C)CC(C)C)C)C(C)C)O

InChI

InChI=1S/C62H94N8O17/c1-15-35(8)50-47(71)31-49(73)87-53(34(6)7)52(74)36(9)54(75)64-42(28-32(2)3)58(79)70-27-17-19-44(70)60(81)68(13)46(30-39-20-22-40(84-14)23-21-39)62(83)85-37(10)51(56(77)65-50)66-55(76)45(29-33(4)5)67(12)59(80)43-18-16-26-69(43)57(78)38(11)86-61(82)41-24-25-48(72)63-41/h20-23,32-38,41-47,50-51,53,71H,15-19,24-31H2,1-14H3,(H,63,72)(H,64,75)(H,65,77)(H,66,76)/t35?,36?,37-,38+,41?,42+,43-,44-,45-,46-,47?,50?,51+,53?/m0/s1