(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S,3R)-3-oxidanyl-2-[[(2S)-2-[2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S,3R)-3-oxidanyl-2-[[(2S)-2-[2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]butanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-3-hydroxy-1-oxo-2-[[(2S)-1-oxo-2-[[1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]ethyl]amino]propyl]amino]butyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]butanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S)-prolyl]amino]acetyl]amino]propanoyl]amino]butanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C28H48N8O10 MolecularWeight: 656.72832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)CNC(=O)C1CCCN1

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1)O

InChI

InChI=1S/C28H48N8O10/c1-13(2)11-19(26(43)33-15(4)28(45)46)35-25(42)18(8-9-20(29)38)34-27(44)22(16(5)37)36-23(40)14(3)32-21(39)12-31-24(41)17-7-6-10-30-17/h13-19,22,30,37H,6-12H2,1-5H3,(H2,29,38)(H,31,41)(H,32,39)(H,33,43)(H,34,44)(H,35,42)(H,36,40)(H,45,46)/t14-,15-,16+,17-,18-,19-,22-/m0/s1