(3S)-3-[[(2S,3R)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-[(2S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-2-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-[(2S)-2-[[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-[(2S)-2-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-[(2S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]propyl]carbamoyl]-2-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pyrrolidino]-4-keto-butyric acid Formula: C41H67N11O15 MolecularWeight: 954.03538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C41H67N11O15/c1-8-19(4)30(37(62)51-31(21(6)54)38(63)45-20(5)41(66)67)49-34(59)25(13-23-15-43-17-44-23)46-35(60)27(16-53)48-36(61)28-10-9-11-52(28)40(65)26(14-29(56)57)47-39(64)32(22(7)55)50-33(58)24(42)12-18(2)3/h15,17-22,24-28,30-32,53-55H,8-14,16,42H2,1-7H3,(H,43,44)(H,45,63)(H,46,60)(H,47,64)(H,48,61)(H,49,59)(H,50,58)(H,51,62)(H,56,57)(H,66,67)/t19-,20-,21+,22+,24-,25-,26-,27-,28-,30-,31-,32-/m0/s1