(2R,3S)-2-azanyl-N-[(3S,6Z,9S,12R,15R,18R,19R)-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexakis(oxidanylidene)-9-(phenylmethyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-3-methyl-pentanamide

Systemtic Name: (2R,3S)-2-azanyl-N-[(3S,6Z,9S,12R,15R,18R,19R)-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexakis(oxidanylidene)-9-(phenylmethyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-3-methyl-pentanamide Openeye Name: (2R,3S)-2-amino-N-[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-6-ethylidene-3,12-diisopropyl-19-methyl-15-[(1S)-1-methylpropyl]-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-3-methyl-pentanamide CAS Name: (2R,3S)-2-amino-N-[(3S,6Z,9S,12R,15R,18R,19R)-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-9-(phenylmethyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-3-methylpentanamide IUPAC Name: (2R,3S)-2-amino-N-[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-3-methylpentanamide Traditional Name: (2R,3S)-2-amino-N-[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-6-ethylidene-3,12-diisopropyl-2,5,8,11,14,17-hexaketo-19-methyl-15-[(1S)-1-methylpropyl]-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-3-methyl-valeramide Formula: C39H61N7O8 MolecularWeight: 755.94374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(=CC)C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C(C(C)CC)N)C)C(C)C)CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C\C)/C(=O)N[C@H](C(=O)O[C@@H]([C@H](C(=O)N1)NC(=O)[C@@H]([C@@H](C)CC)N)C)C(C)C)CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C39H61N7O8/c1-11-22(8)28(40)35(49)46-32-24(10)54-39(53)30(21(6)7)44-33(47)26(13-3)41-34(48)27(19-25-17-15-14-16-18-25)42-36(50)29(20(4)5)43-37(51)31(23(9)12-2)45-38(32)52/h13-18,20-24,27-32H,11-12,19,40H2,1-10H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,52)(H,46,49)/b26-13-/t22-,23-,24+,27-,28+,29+,30-,31+,32+/m0/s1