1-[(3S,6S,9S,12R,15R,19E,21E,24S,25R,26S)-9-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-4,25-dimethyl-15,24-bis(oxidanyl)-2,5,8,11,14,18-hexakis(oxidanylidene)-26-[(2R)-pentan-2-yl]-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]-4,25-dimethyl-15,24-bis(oxidanyl)-2,5,8,11,14,18-hexakis(oxidanylidene)-26-[(2R)-pentan-2-yl]-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-methylbutyl]-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]-15,24-dihydroxy-4,25-dimethyl-2,5,8,11,14,18-hexaoxo-26-[(2R)-pentan-2-yl]-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]-15,24-dihydroxy-4,25-dimethyl-2,5,8,11,14,18-hexaoxo-26-[(2R)-pentan-2-yl]-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-methylbutyl]-6-(phosphonooxymethyl)-1-oxa-4,7,10,13,17-pentazacyclohexacosa-19,21-dien-12-yl]ethyl ester Formula: C37H62N7O16P MolecularWeight: 891.899241

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCC[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/C37H62N7O16P/c1-9-13-19(4)30-20(5)24(45)14-11-10-12-15-26(47)40-16-25(46)32(49)43-28(22(7)59-37(39)54)34(51)42-27(21(6)31(38)48)33(50)41-23(17-58-61(55,56)57)35(52)44(8)29(18(2)3)36(53)60-30/h10-12,15,18-25,27-30,45-46H,9,13-14,16-17H2,1-8H3,(H2,38,48)(H2,39,54)(H,40,47)(H,41,50)(H,42,51)(H,43,49)(H2,55,56,57)/b11-10+,15-12+/t19-,20-,21+,22?,23+,24+,25-,27+,28-,29+,30+/m1/s1