(phenylmethyl) N-[1-[4,7-bis[2,6-bis(phenylmethoxycarbonylamino)hexanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[4,7-bis[2,6-bis(phenylmethoxycarbonylamino)hexanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate Openeye Name: benzyl N-[5-(benzyloxycarbonylamino)-1-[4,7-bis[2,6-bis(benzyloxycarbonylamino)hexanoyl]-1,4,7,10-tetrazacyclododecane-1-carbonyl]pentyl]carbamate CAS Name: N-[1-[4,7-bis[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[4,7-bis[2,6-bis(phenylmethoxycarbonylamino)hexanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate Traditional Name: N-[5-(benzyloxycarbonylamino)-1-[4,7-bis[2,6-bis(benzyloxycarbonylamino)hexanoyl]-1,4,7,10-tetrazacyclododecane-1-carbonyl]pentyl]carbamic acid benzyl ester Formula: C74H92N10O15 MolecularWeight: 1361.58028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)C(CCCCNC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)C(CCCCNC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN(CCN(CCN1)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)C(CCCCNC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)C(CCCCNC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C74H92N10O15/c85-66(63(79-72(91)97-54-60-31-13-4-14-32-60)37-19-22-40-76-69(88)94-51-57-25-7-1-8-26-57)82-45-43-75-44-46-83(67(86)64(80-73(92)98-55-61-33-15-5-16-34-61)38-20-23-41-77-70(89)95-52-58-27-9-2-10-28-58)48-50-84(49-47-82)68(87)65(81-74(93)99-56-62-35-17-6-18-36-62)39-21-24-42-78-71(90)96-53-59-29-11-3-12-30-59/h1-18,25-36,63-65,75H,19-24,37-56H2,(H,76,88)(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)