(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[(4-methoxyphenyl)methyl]-2-[methyl(thiazol-2-ylmethyl)amino]-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-propyl]-methyl-carbamoyl]-2-methyl-propyl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[methyl(2-thiazolylmethyl)amino]-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyl-1-oxooct-7-ynyl]amino]-1-oxopropyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-[[(1S)-1-[[(1S)-2-keto-2-[methyl(thiazol-2-ylmethyl)amino]-1-p-anisyl-ethyl]-methyl-carbamoyl]-2-methyl-propyl]-methyl-carbamoyl]-2-methyl-propyl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide Formula: C52H80N8O8S MolecularWeight: 977.3054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)N(C)CC3=NC=CS3)N(C)C(=O)C(C)N(C)C(=O)C(C)CCCCC#C

Isomeric SMILES

C[C@H](CCCCC#C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=C(C=C2)OC)C(=O)N(C)CC3=NC=CS3

InChI

InChI=1S/C52H80N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h1,24-28,30,33-37,40-41,43-45H,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1