ethyl 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: ethyl 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: ethyl 2-benzyl-3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-3-oxo-propanoate CAS Name: 3-[6-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]hexylamino]-3-oxo-2-(phenylmethyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexylamino]-3-oxopropanoate Traditional Name: 2-benzyl-3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexylamino]-3-keto-propionic acid ethyl ester Formula: C29H46N4O7 MolecularWeight: 562.69814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NCCCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NCCCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H46N4O7/c1-8-38-24(35)22(20-21-16-12-11-13-17-21)23(34)30-18-14-9-10-15-19-31-25(32-26(36)39-28(2,3)4)33-27(37)40-29(5,6)7/h11-13,16-17,22H,8-10,14-15,18-20H2,1-7H3,(H,30,34)(H2,31,32,33,36,37)