(phenylmethyl) N-[5-[bis(azanyl)methylideneamino]-1-[[6'-[[5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-[bis(azanyl)methylideneamino]-1-[[6'-[[5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[[6'-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]carbamoyl]-4-guanidino-butyl]carbamate CAS Name: N-[5-(diaminomethylideneamino)-1-[[6'-[[5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(diaminomethylideneamino)-1-[[6'-[[5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[6'-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]carbamoyl]-4-guanidino-butyl]carbamic acid benzyl ester Formula: C48H50N10O9 MolecularWeight: 910.9722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC(=O)C(CCCN=C(N)N)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7C(=O)O4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC(=O)C(CCCN=C(N)N)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7C(=O)O4

InChI

InChI=1S/C48H50N10O9/c49-44(50)53-23-9-17-37(57-46(62)64-27-29-11-3-1-4-12-29)41(59)55-31-19-21-35-39(25-31)66-40-26-32(20-22-36(40)48(35)34-16-8-7-15-33(34)43(61)67-48)56-42(60)38(18-10-24-54-45(51)52)58-47(63)65-28-30-13-5-2-6-14-30/h1-8,11-16,19-22,25-26,37-38H,9-10,17-18,23-24,27-28H2,(H,55,59)(H,56,60)(H,57,62)(H,58,63)(H4,49,50,53)(H4,51,52,54)