(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]glutaric acid Formula: C45H68N12O16 MolecularWeight: 1033.09222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CN=CN2)N)O

InChI

InChI=1S/C45H68N12O16/c1-21(2)34(42(69)50-23(5)37(64)53-31(19-59)41(68)56-35(22(3)4)43(70)51-28(45(72)73)12-13-33(62)63)55-32(61)17-48-39(66)30(18-58)54-40(67)29(14-25-10-8-7-9-11-25)52-44(71)36(24(6)60)57-38(65)27(46)15-26-16-47-20-49-26/h7-11,16,20-24,27-31,34-36,58-60H,12-15,17-19,46H2,1-6H3,(H,47,49)(H,48,66)(H,50,69)(H,51,70)(H,52,71)(H,53,64)(H,54,67)(H,55,61)(H,56,68)(H,57,65)(H,62,63)(H,72,73)/t23-,24+,27-,28-,29-,30-,31-,34-,35-,36-/m0/s1