(2S)-2-[[(2S)-2-azanylbutanoyl]amino]-N-[6'-[[(2S)-2-[[(2S)-2-azanylbutanoyl]amino]-4-phenyl-butanoyl]amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]-4-phenyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanylbutanoyl]amino]-N-[6'-[[(2S)-2-[[(2S)-2-azanylbutanoyl]amino]-4-phenyl-butanoyl]amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]-4-phenyl-butanamide Openeye Name: (2S)-2-[[(2S)-2-aminobutanoyl]amino]-N-[6'-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-4-phenyl-butanoyl]amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]-4-phenyl-butanamide CAS Name: (2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-N-[6'-[[(2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-1-oxo-4-phenylbutyl]amino]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]-4-phenylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-aminobutanoyl]amino]-N-[6'-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-4-phenylbutanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]-4-phenylbutanamide Traditional Name: (2S)-2-[[(2S)-2-aminobutanoyl]amino]-N-[6'-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-4-phenyl-butanoyl]amino]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]-4-phenyl-butyramide Formula: C48H50N6O7 MolecularWeight: 822.9466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC(=O)C(CCC6=CC=CC=C6)NC(=O)C(CC)N)C7=CC=CC=C7C(=O)O4)N

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC(=O)[C@H](CCC6=CC=CC=C6)NC(=O)[C@H](CC)N)C7=CC=CC=C7C(=O)O4)N

InChI

InChI=1S/C48H50N6O7/c1-3-37(49)43(55)53-39(25-19-29-13-7-5-8-14-29)45(57)51-31-21-23-35-41(27-31)60-42-28-32(22-24-36(42)48(35)34-18-12-11-17-33(34)47(59)61-48)52-46(58)40(54-44(56)38(50)4-2)26-20-30-15-9-6-10-16-30/h5-18,21-24,27-28,37-40H,3-4,19-20,25-26,49-50H2,1-2H3,(H,51,57)(H,52,58)(H,53,55)(H,54,56)/t37-,38-,39-,40-/m0/s1