[(2S,4R)-2-[4-[(6-azanylpyridin-3-yl)methylcarbamoyl]piperidin-1-yl]carbonyloxy-3-phenylmethoxy-oxan-4-yl]methyl 4-[[3-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: [(2S,4R)-2-[4-[(6-azanylpyridin-3-yl)methylcarbamoyl]piperidin-1-yl]carbonyloxy-3-phenylmethoxy-oxan-4-yl]methyl 4-[[3-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate Openeye Name: [(2S,4R)-2-[4-[(6-amino-3-pyridyl)methylcarbamoyl]piperidine-1-carbonyl]oxy-3-benzyloxy-tetrahydropyran-4-yl]methyl 4-[[3-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-1-piperazinecarboxylic acid [(2S,4R)-2-[[4-[[(6-amino-3-pyridinyl)methylamino]-oxomethyl]-1-piperidinyl]-oxomethoxy]-3-phenylmethoxy-4-oxanyl]methyl ester IUPAC Name: [(2S,4R)-2-[4-[(6-aminopyridin-3-yl)methylcarbamoyl]piperidine-1-carbonyl]oxy-3-phenylmethoxyoxan-4-yl]methyl 4-[[3-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(aminomethyl)benzyl]carbamoyl]piperazine-1-carboxylic acid [(2S,4R)-2-[4-[(6-amino-3-pyridyl)methylcarbamoyl]piperidine-1-carbonyl]oxy-3-benzoxy-tetrahydropyran-4-yl]methyl ester Formula: C40H52N8O8 MolecularWeight: 772.88968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=C(C=C2)N)C(=O)OC3C(C(CCO3)COC(=O)N4CCN(CC4)C(=O)NCC5=CC=CC(=C5)CN)OCC6=CC=CC=C6

Isomeric SMILES

C1CO[C@H](C([C@H]1COC(=O)N2CCN(CC2)C(=O)NCC3=CC=CC(=C3)CN)OCC4=CC=CC=C4)OC(=O)N5CCC(CC5)C(=O)NCC6=CN=C(C=C6)N

InChI

InChI=1S/C40H52N8O8/c41-22-29-7-4-8-30(21-29)23-45-38(50)46-16-18-48(19-17-46)39(51)55-27-33-13-20-53-37(35(33)54-26-28-5-2-1-3-6-28)56-40(52)47-14-11-32(12-15-47)36(49)44-25-31-9-10-34(42)43-24-31/h1-10,21,24,32-33,35,37H,11-20,22-23,25-27,41H2,(H2,42,43)(H,44,49)(H,45,50)/t33-,35?,37+/m1/s1