2-[(3S,6S,9S,12S,15S)-9-(2-azanyl-2-oxidanylidene-ethyl)-6-[(2S)-butan-2-yl]-2,5,8,11,14-pentakis(oxidanylidene)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]ethanoic acid

Systemtic Name: 2-[(3S,6S,9S,12S,15S)-9-(2-azanyl-2-oxidanylidene-ethyl)-6-[(2S)-butan-2-yl]-2,5,8,11,14-pentakis(oxidanylidene)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]ethanoic acid Openeye Name: 2-[(3S,6S,9S,12S,15S)-9-(2-amino-2-oxo-ethyl)-12-isopropyl-6-[(1S)-1-methylpropyl]-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid CAS Name: 2-[(3S,6S,9S,12S,15S)-9-(2-amino-2-oxoethyl)-6-[(2S)-butan-2-yl]-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid IUPAC Name: 2-[(3S,6S,9S,12S,15S)-9-(2-amino-2-oxoethyl)-6-[(2S)-butan-2-yl]-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid Traditional Name: 2-[(3S,6S,9S,12S,15S)-9-(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-6-[(1S)-1-methylpropyl]-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid Formula: C24H38N6O8 MolecularWeight: 538.59392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)C(C)C)CC(=O)O

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)C(C)C)CC(=O)O

InChI

InChI=1S/C24H38N6O8/c1-5-12(4)19-23(37)27-14(10-17(32)33)24(38)30-8-6-7-15(30)21(35)28-18(11(2)3)22(36)26-13(9-16(25)31)20(34)29-19/h11-15,18-19H,5-10H2,1-4H3,(H2,25,31)(H,26,36)(H,27,37)(H,28,35)(H,29,34)(H,32,33)/t12-,13-,14-,15-,18-,19-/m0/s1