2-[3-[(3S,6S,9S,12S,15S,18S)-12-(hydroxymethyl)-3-(2-methylpropyl)-6-[(1R)-1-oxidanylethyl]-2,5,8,11,14,17-hexakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]propyl]guanidine

Systemtic Name: 2-[3-[(3S,6S,9S,12S,15S,18S)-12-(hydroxymethyl)-3-(2-methylpropyl)-6-[(1R)-1-oxidanylethyl]-2,5,8,11,14,17-hexakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]propyl]guanidine Openeye Name: 2-[3-[(3S,6S,9S,12S,15S,18S)-15-benzyl-6-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-3-isobutyl-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]propyl]guanidine CAS Name: 2-[3-[(3S,6S,9S,12S,15S,18S)-6-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-3-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-15-(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosan-9-yl]propyl]guanidine IUPAC Name: 2-[3-[(3S,6S,9S,12S,15S,18S)-15-benzyl-6-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-3-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]propyl]guanidine Traditional Name: 2-[3-[(3S,6S,9S,12S,15S,18S)-15-benzyl-6-[(1R)-1-hydroxyethyl]-3-isobutyl-2,5,8,11,14,17-hexaketo-12-methylol-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosan-9-yl]propyl]guanidine Formula: C33H51N9O8 MolecularWeight: 701.81354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N9O8/c1-18(2)15-23-32(50)42-14-8-12-25(42)30(48)38-22(16-20-9-5-4-6-10-20)28(46)40-24(17-43)29(47)37-21(11-7-13-36-33(34)35)27(45)41-26(19(3)44)31(49)39-23/h4-6,9-10,18-19,21-26,43-44H,7-8,11-17H2,1-3H3,(H,37,47)(H,38,48)(H,39,49)(H,40,46)(H,41,45)(H4,34,35,36)/t19-,21+,22+,23+,24+,25+,26+/m1/s1