(phenylmethyl) 2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-azanyl-hexanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-azanyl-hexanoyl]amino]ethanoate Openeye Name: benzyl 2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-amino-hexanoyl]amino]acetate CAS Name: 2-[[(2S)-6-[[2-adamantyloxy(oxo)methyl]amino]-2-amino-1-oxohexyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-aminohexanoyl]amino]acetate Traditional Name: 2-[[(2S)-6-(2-adamantyloxycarbonylamino)-2-amino-hexanoyl]amino]acetic acid benzyl ester Formula: C26H37N3O5 MolecularWeight: 471.58908

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)NCCCCC(C(=O)NCC(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)NCCCC[C@@H](C(=O)NCC(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C26H37N3O5/c27-22(25(31)29-15-23(30)33-16-17-6-2-1-3-7-17)8-4-5-9-28-26(32)34-24-20-11-18-10-19(13-20)14-21(24)12-18/h1-3,6-7,18-22,24H,4-5,8-16,27H2,(H,28,32)(H,29,31)/t18?,19?,20?,21?,22-,24?/m0/s1