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

Systemtic Name: cyclododecyl (3S)-3-(2-azanylethanoylamino)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: cyclododecyl (3S)-3-[(2-aminoacetyl)amino]-4-[[(1S)-2-amino-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-[(2-amino-1-oxoethyl)amino]-4-[[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]amino]-4-oxobutanoic acid cyclododecyl ester IUPAC Name: cyclododecyl (3S)-3-[(2-aminoacetyl)amino]-4-[[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-2-amino-1-(benzoxymethyl)-2-keto-ethyl]amino]-3-(glycylamino)-4-keto-butyric acid cyclododecyl ester Formula: C28H44N4O6 MolecularWeight: 532.67216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)OC(=O)CC(C(=O)NC(COCC2=CC=CC=C2)C(=O)N)NC(=O)CN

Isomeric SMILES

C1CCCCCC(CCCCC1)OC(=O)C[C@@H](C(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)N)NC(=O)CN

InChI

InChI=1S/C28H44N4O6/c29-18-25(33)31-23(17-26(34)38-22-15-11-6-4-2-1-3-5-7-12-16-22)28(36)32-24(27(30)35)20-37-19-21-13-9-8-10-14-21/h8-10,13-14,22-24H,1-7,11-12,15-20,29H2,(H2,30,35)(H,31,33)(H,32,36)/t23-,24-/m0/s1