N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]ethanoyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]-4-[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]ethanoyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]carbamoyl]phenyl]benzamide

Systemtic Name: N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]ethanoyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]-4-[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]ethanoyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]carbamoyl]phenyl]benzamide Openeye Name: N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(4-phenylthiazol-2-yl)pyrrolidin-3-yl]-4-[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(4-phenylthiazol-2-yl)pyrrolidin-3-yl]carbamoyl]phenyl]benzamide CAS Name: N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxoethyl]-5-(4-phenyl-2-thiazolyl)-3-pyrrolidinyl]-4-[4-[[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxoethyl]-5-(4-phenyl-2-thiazolyl)-3-pyrrolidinyl]amino]-oxomethyl]phenyl]benzamide IUPAC Name: N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]-4-[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]carbamoyl]phenyl]benzamide Traditional Name: N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(4-phenylthiazol-2-yl)pyrrolidin-3-yl]-4-[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(4-phenylthiazol-2-yl)pyrrolidin-3-yl]carbamoyl]phenyl]benzamide Formula: C64H76N10O6S2 MolecularWeight: 1145.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C3=NC(=CS3)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)NC7CC(N(C7)C(=O)C(C8CCCCC8)NC(=O)C(C)NC)C9=NC(=CS9)C1=CC=CC=C1)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C3=NC(=CS3)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)N[C@H]7C[C@H](N(C7)C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)C9=NC(=CS9)C1=CC=CC=C1)NC

InChI

InChI=1S/C64H76N10O6S2/c1-39(65-3)57(75)71-55(45-21-13-7-14-22-45)63(79)73-35-49(33-53(73)61-69-51(37-81-61)43-17-9-5-10-18-43)67-59(77)47-29-25-41(26-30-47)42-27-31-48(32-28-42)60(78)68-50-34-54(62-70-52(38-82-62)44-19-11-6-12-20-44)74(36-50)64(80)56(46-23-15-8-16-24-46)72-58(76)40(2)66-4/h5-6,9-12,17-20,25-32,37-40,45-46,49-50,53-56,65-66H,7-8,13-16,21-24,33-36H2,1-4H3,(H,67,77)(H,68,78)(H,71,75)(H,72,76)/t39-,40-,49-,50-,53-,54-,55-,56-/m0/s1