(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-1-[(2S)-2,4-diamino-4-oxo-butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2,4-diamino-1,4-dioxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[(2-amino-2-keto-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]-1-[(2S)-2,4-diamino-4-keto-butanoyl]pyrrolidine-2-carboxamide Formula: C40H50N12O8 MolecularWeight: 826.9006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCCN5C(=O)C(CC(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C40H50N12O8/c1-22(35(55)49-30(36(56)46-20-34(43)54)15-24-18-45-28-11-6-5-10-26(24)28)48-37(57)31(16-25-19-44-21-47-25)50-38(58)29(14-23-8-3-2-4-9-23)51-39(59)32-12-7-13-52(32)40(60)27(41)17-33(42)53/h2-6,8-11,18-19,21-22,27,29-32,45H,7,12-17,20,41H2,1H3,(H2,42,53)(H2,43,54)(H,44,47)(H,46,56)(H,48,57)(H,49,55)(H,50,58)(H,51,59)/t22-,27-,29-,30-,31-,32-/m0/s1