2-[[(2S)-5-(2-adamantyloxy)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-5-(2-adamantyloxy)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-5-(2-adamantyloxy)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-5-(2-adamantyloxy)-2-[[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-5-(2-adamantyloxy)-2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-5-(2-adamantyloxy)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]acetic acid Formula: C30H41N3O7 MolecularWeight: 555.66244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H41N3O7/c1-3-17(2)26(33-28(37)20-7-5-4-6-8-20)30(39)32-23(29(38)31-16-24(34)35)9-10-25(36)40-27-21-12-18-11-19(14-21)15-22(27)13-18/h4-8,17-19,21-23,26-27H,3,9-16H2,1-2H3,(H,31,38)(H,32,39)(H,33,37)(H,34,35)/t17-,18?,19?,21?,22?,23-,26-,27?/m0/s1