(2S)-5-[4-[2-methoxy-5-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)phenyl]piperazin-1-yl]-5-oxidanylidene-2-(propan-2-yloxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[4-[2-methoxy-5-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)phenyl]piperazin-1-yl]-5-oxidanylidene-2-(propan-2-yloxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(isopropoxycarbonylamino)-5-[4-[2-methoxy-5-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)phenyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-[2-methoxy-5-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)phenyl]-1-piperazinyl]-5-oxo-2-[[oxo(propan-2-yloxy)methyl]amino]pentanoic acid IUPAC Name: (2S)-5-[4-[2-methoxy-5-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)phenyl]piperazin-1-yl]-5-oxo-2-(propan-2-yloxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(isopropoxycarbonylamino)-5-keto-5-[4-[2-methoxy-5-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)phenyl]piperazino]valeric acid Formula: C25H38N6O6 MolecularWeight: 518.60582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC(CCC(=O)N1CCN(CC1)C2=C(C=CC(=C2)NC3=NCCCCN3)OC)C(=O)O

Isomeric SMILES

CC(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC1)C2=C(C=CC(=C2)NC3=NCCCCN3)OC)C(=O)O

InChI

InChI=1S/C25H38N6O6/c1-17(2)37-25(35)29-19(23(33)34)7-9-22(32)31-14-12-30(13-15-31)20-16-18(6-8-21(20)36-3)28-24-26-10-4-5-11-27-24/h6,8,16-17,19H,4-5,7,9-15H2,1-3H3,(H,29,35)(H,33,34)(H2,26,27,28)/t19-/m0/s1