(1S,2S)-N1-[2-[[(2S)-2-[[6-[(2-azanylethylamino)methyl]pyridin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl]-N2-[2-[[4-[[4-[[4-(butanoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]cyclopropane-1,2-dicarboxamide

Systemtic Name: (1S,2S)-N1-[2-[[(2S)-2-[[6-[(2-azanylethylamino)methyl]pyridin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl]-N2-[2-[[4-[[4-[[4-(butanoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]cyclopropane-1,2-dicarboxamide Openeye Name: (1S,2S)-N1-[2-[[(2S)-2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl]-N2-[2-[[4-[[4-[[4-(butanoylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]cyclopropane-1,2-dicarboxamide CAS Name: (1S,2S)-N1-[2-[[(2S)-2-[[[6-[(2-aminoethylamino)methyl]-2-pyridinyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]ethyl]-N2-[2-[[[1-methyl-4-[[[1-methyl-4-[[[1-methyl-4-(1-oxobutylamino)-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]ethyl]cyclopropane-1,2-dicarboxamide IUPAC Name: (1S,2S)-1-N-[2-[[(2S)-2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl]-2-N-[2-[[4-[[4-[[4-(butanoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]ethyl]cyclopropane-1,2-dicarboxamide Traditional Name: (1S,2S)-N-[2-[[(2S)-2-[[6-[(2-aminoethylamino)methyl]picolinoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl]-N'-[2-[[4-[[4-[(4-butyramido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]cyclopropane-1,2-dicarboxamide Formula: C46H60N16O8 MolecularWeight: 965.071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCNC(=O)C4CC4C(=O)NCCNC(=O)C(CC5=CN=CN5)NC(=O)C6=NC(=CC=C6)CNCCN)C)C)C

Isomeric SMILES

CCCC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCNC(=O)[C@H]4C[C@@H]4C(=O)NCCNC(=O)[C@H](CC5=CN=CN5)NC(=O)C6=NC(=CC=C6)CNCCN)C)C)C

InChI

InChI=1S/C46H60N16O8/c1-5-7-39(63)56-29-17-37(61(3)23-29)45(69)58-31-19-38(62(4)25-31)46(70)57-30-18-36(60(2)24-30)44(68)53-15-13-51-41(65)33-20-32(33)40(64)50-12-14-52-42(66)35(16-28-22-49-26-54-28)59-43(67)34-9-6-8-27(55-34)21-48-11-10-47/h6,8-9,17-19,22-26,32-33,35,48H,5,7,10-16,20-21,47H2,1-4H3,(H,49,54)(H,50,64)(H,51,65)(H,52,66)(H,53,68)(H,56,63)(H,57,70)(H,58,69)(H,59,67)/t32-,33-,35-/m0/s1