(phenylmethyl) (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]hexanoate

Systemtic Name: (phenylmethyl) (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]hexanoate Openeye Name: benzyl (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]hexanoate CAS Name: (2S)-6-[[2-adamantyloxy(oxo)methyl]amino]-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoate Traditional Name: (2S)-6-(2-adamantyloxycarbonylamino)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]hexanoic acid benzyl ester Formula: C29H43N3O5 MolecularWeight: 513.66882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCNC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCCNC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C29H43N3O5/c1-18(2)25(30)27(33)32-24(28(34)36-17-19-8-4-3-5-9-19)10-6-7-11-31-29(35)37-26-22-13-20-12-21(15-22)16-23(26)14-20/h3-5,8-9,18,20-26H,6-7,10-17,30H2,1-2H3,(H,31,35)(H,32,33)/t20?,21?,22?,23?,24-,25-,26?/m0/s1