2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-1-[2-[[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-2-[[(2S)-3-oxidanyl-2-[[(2S)-1-[(2S)-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-1-[2-[[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-2-[[(2S)-3-oxidanyl-2-[[(2S)-1-[(2S)-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[[(2S)-1-[2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-3-hydroxy-1-oxo-2-[[oxo-[(2S)-1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]methyl]amino]propyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-prolyl]prolyl]amino]propanoyl]amino]propanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]acetyl]prolyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid Formula: C42H64N12O12 MolecularWeight: 929.03076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)O)NC(=O)C3CCCN3C(=O)C(C)NC(=O)C(CO)NC(=O)C4CCCN4C(=O)C5CCCN5

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5

InChI

InChI=1S/C42H64N12O12/c1-4-23(2)34(40(64)45-19-32(56)52-14-6-10-29(52)37(61)49-27(17-25-18-43-22-47-25)35(59)46-20-33(57)58)51-39(63)31-12-7-15-53(31)41(65)24(3)48-36(60)28(21-55)50-38(62)30-11-8-16-54(30)42(66)26-9-5-13-44-26/h18,22-24,26-31,34,44,55H,4-17,19-21H2,1-3H3,(H,43,47)(H,45,64)(H,46,59)(H,48,60)(H,49,61)(H,50,62)(H,51,63)(H,57,58)/t23-,24-,26-,27-,28-,29-,30-,31-,34-/m0/s1