(3S,6S,9S,12S,18S)-6-(hydroxymethyl)-3-methyl-12-(phenylmethyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

Systemtic Name: (3S,6S,9S,12S,18S)-6-(hydroxymethyl)-3-methyl-12-(phenylmethyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Openeye Name: (3S,6S,9S,12S,18S)-12-benzyl-6-(hydroxymethyl)-9-isopropyl-3-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone CAS Name: (3S,6S,9S,12S,18S)-6-(hydroxymethyl)-3-methyl-12-(phenylmethyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-hexone IUPAC Name: (3S,6S,9S,12S,18S)-12-benzyl-6-(hydroxymethyl)-3-methyl-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Traditional Name: (3S,6S,9S,12S,18S)-12-benzyl-9-isopropyl-3-methyl-6-methylol-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-triquinone Formula: C27H38N6O7 MolecularWeight: 558.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C27H38N6O7/c1-15(2)22-26(39)31-19(14-34)24(37)29-16(3)27(40)33-11-7-10-20(33)25(38)28-13-21(35)30-18(23(36)32-22)12-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-20,22,34H,7,10-14H2,1-3H3,(H,28,38)(H,29,37)(H,30,35)(H,31,39)(H,32,36)/t16-,18-,19-,20-,22-/m0/s1