1-[(3S,6S,9S,12R,15R,19E,21E,24S,25R,26S)-9-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-26-[(2R)-butan-2-yl]-4,25-dimethyl-15,24-bis(oxidanyl)-2,5,8,11,14,18-hexakis(oxidanylidene)-6-(phosphonooxymethyl)-3-propan-2-yl-1-oxa-4,7,10,13,17-pentazacyclohexacosa-19,21-dien-12-yl]ethyl carbamate

Systemtic Name: 1-[(3S,6S,9S,12R,15R,19E,21E,24S,25R,26S)-9-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-26-[(2R)-butan-2-yl]-4,25-dimethyl-15,24-bis(oxidanyl)-2,5,8,11,14,18-hexakis(oxidanylidene)-6-(phosphonooxymethyl)-3-propan-2-yl-1-oxa-4,7,10,13,17-pentazacyclohexacosa-19,21-dien-12-yl]ethyl carbamate Openeye Name: 1-[(3S,6S,9S,12R,15R,19E,21E,24S,25R,26S)-9-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-15,24-dihydroxy-3-isopropyl-4,25-dimethyl-26-[(1R)-1-methylpropyl]-2,5,8,11,14,18-hexaoxo-6-(phosphonooxymethyl)-1-oxa-4,7,10,13,17-pentazacyclohexacosa-19,21-dien-12-yl]ethyl carbamate CAS Name: carbamic acid 1-[(3S,6S,9S,12R,15R,19E,21E,24S,25R,26S)-9-[(2S)-1-amino-1-oxopropan-2-yl]-26-[(2R)-butan-2-yl]-15,24-dihydroxy-4,25-dimethyl-2,5,8,11,14,18-hexaoxo-6-(phosphonooxymethyl)-3-propan-2-yl-1-oxa-4,7,10,13,17-pentazacyclohexacosa-19,21-dien-12-yl]ethyl ester IUPAC Name: 1-[(3S,6S,9S,12R,15R,19E,21E,24S,25R,26S)-9-[(2S)-1-amino-1-oxopropan-2-yl]-26-[(2R)-butan-2-yl]-15,24-dihydroxy-4,25-dimethyl-2,5,8,11,14,18-hexaoxo-6-(phosphonooxymethyl)-3-propan-2-yl-1-oxa-4,7,10,13,17-pentazacyclohexacosa-19,21-dien-12-yl]ethyl carbamate Traditional Name: carbamic acid 1-[(3S,6S,9S,12R,15R,19E,21E,24S,25R,26S)-9-[(1S)-2-amino-2-keto-1-methyl-ethyl]-15,24-dihydroxy-3-isopropyl-2,5,8,11,14,18-hexaketo-4,25-dimethyl-26-[(1R)-1-methylpropyl]-6-(phosphonooxymethyl)-1-oxa-4,7,10,13,17-pentazacyclohexacosa-19,21-dien-12-yl]ethyl ester Formula: C36H60N7O16P MolecularWeight: 877.872661

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(C(CC=CC=CC(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)C)C)COP(=O)(O)O)C(C)C(=O)N)C(C)OC(=O)N)O)O)C

Isomeric SMILES

CC[C@@H](C)[C@H]1[C@@H]([C@H](C/C=C/C=C/C(=O)NC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)COP(=O)(O)O)[C@H](C)C(=O)N)C(C)OC(=O)N)O)O)C

InChI

InChI=1S/C36H60N7O16P/c1-9-18(4)29-19(5)23(44)13-11-10-12-14-25(46)39-15-24(45)31(48)42-27(21(7)58-36(38)53)33(50)41-26(20(6)30(37)47)32(49)40-22(16-57-60(54,55)56)34(51)43(8)28(17(2)3)35(52)59-29/h10-12,14,17-24,26-29,44-45H,9,13,15-16H2,1-8H3,(H2,37,47)(H2,38,53)(H,39,46)(H,40,49)(H,41,50)(H,42,48)(H2,54,55,56)/b11-10+,14-12+/t18-,19-,20+,21?,22+,23+,24-,26+,27-,28+,29+/m1/s1