(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-6-azanyl-hexanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-6-azanyl-hexanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-6-amino-hexanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-6-amino-1-oxohexyl]amino]-4-amino-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-6-amino-hexanoyl]amino]-4-amino-4-keto-butanoyl]amino]-3-methyl-valeric acid Formula: C43H65N11O10 MolecularWeight: 896.0439

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C43H65N11O10/c1-6-25(4)36(43(63)64)53-39(59)31(21-34(45)56)50-37(57)29(15-10-11-17-44)49-38(58)30(19-27-13-8-7-9-14-27)51-40(60)33-16-12-18-54(33)42(62)32(20-28-22-46-23-47-28)52-41(61)35(24(2)3)48-26(5)55/h7-9,13-14,22-25,29-33,35-36H,6,10-12,15-21,44H2,1-5H3,(H2,45,56)(H,46,47)(H,48,55)(H,49,58)(H,50,57)(H,51,60)(H,52,61)(H,53,59)(H,63,64)/t25-,29-,30-,31-,32-,33-,35-,36-/m0/s1