cyclododecyl (3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: cyclododecyl (3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: cyclododecyl (3S)-4-[[(1S)-2-amino-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid cyclododecyl ester IUPAC Name: cyclododecyl (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-2-amino-1-(benzoxymethyl)-2-keto-ethyl]amino]-3-(tert-butoxycarbonylamino)-4-keto-butyric acid cyclododecyl ester Formula: C31H49N3O7 MolecularWeight: 575.73666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OC1CCCCCCCCCCC1)C(=O)NC(COCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCCCCCCCC1)C(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C31H49N3O7/c1-31(2,3)41-30(38)34-25(20-27(35)40-24-18-14-9-7-5-4-6-8-10-15-19-24)29(37)33-26(28(32)36)22-39-21-23-16-12-11-13-17-23/h11-13,16-17,24-26H,4-10,14-15,18-22H2,1-3H3,(H2,32,36)(H,33,37)(H,34,38)/t25-,26-/m0/s1