(2S)-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-4-sulfanyl-butanoyl]amino]-N-[(2S)-1-oxidanylidenehexan-2-yl]pentanediamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-4-sulfanyl-butanoyl]amino]-N-[(2S)-1-oxidanylidenehexan-2-yl]pentanediamide Openeye Name: (2S)-N-[(1S)-1-formylpentyl]-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-4-sulfanyl-butanoyl]amino]pentanediamide CAS Name: (2S)-2-[[(2S)-4-mercapto-2-[[(2S)-4-methyl-2-[[(2S)-2-[[[(2S)-1-[(2S,3S)-3-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-N-[(2S)-1-oxohexan-2-yl]pentanediamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-4-sulfanylbutanoyl]amino]-N-[(2S)-1-oxohexan-2-yl]pentanediamide Traditional Name: (2S)-N-[(1S)-1-formylpentyl]-2-[[(2S)-4-mercapto-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-prolyl]amino]pentanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]butanoyl]amino]glutaramide Formula: C46H73N9O9S MolecularWeight: 928.19172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=O)NC(=O)C(CCC(=O)N)NC(=O)C(CCS)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)C3CCCN3

Isomeric SMILES

CCCC[C@@H](C=O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3

InChI

InChI=1S/C46H73N9O9S/c1-6-8-16-31(27-56)49-41(59)33(19-20-38(47)57)50-42(60)34(21-24-65)51-43(61)35(25-28(3)4)52-44(62)36(26-30-14-10-9-11-15-30)53-45(63)37-18-13-23-55(37)46(64)39(29(5)7-2)54-40(58)32-17-12-22-48-32/h9-11,14-15,27-29,31-37,39,48,65H,6-8,12-13,16-26H2,1-5H3,(H2,47,57)(H,49,59)(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,54,58)/t29-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1