(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[[(2S)-1-[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]acetyl]amino]-4-(methylthio)butanoyl]prolyl]amino]-5-keto-valeric acid Formula: C31H48N10O9S MolecularWeight: 736.83942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NCC(=O)NC(CCSC)C(=O)N3CCCC3C(=O)NC(CCC(=O)N)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)O)N

InChI

InChI=1S/C31H48N10O9S/c1-17(32)26(44)39-21(13-18-14-34-16-36-18)30(48)40-10-3-5-22(40)27(45)35-15-25(43)37-19(9-12-51-2)29(47)41-11-4-6-23(41)28(46)38-20(31(49)50)7-8-24(33)42/h14,16-17,19-23H,3-13,15,32H2,1-2H3,(H2,33,42)(H,34,36)(H,35,45)(H,37,43)(H,38,46)(H,39,44)(H,49,50)/t17-,19-,20-,21-,22-,23-/m0/s1