(2S)-1-[2-[3-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]propanoyl]amino]propanoyloxy]pent-4-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[3-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]propanoyl]amino]propanoyloxy]pent-4-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[3-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]propanoyl]amino]propanoyloxy]pent-4-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[3-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-methylamino]-3-methyl-1-oxobutyl]-methylamino]-1-oxopropyl]amino]-1-oxopropoxy]-1-oxopent-4-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[3-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]amino]propanoyloxy]pent-4-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[3-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]propanoyl]amino]propanoyloxy]pent-4-enoyl]proline Formula: C29H49N5O8 MolecularWeight: 595.72806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C)C(=O)NCCC(=O)OC(CC=C)C(=O)N1CCCC1C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)NCCC(=O)OC(CC=C)C(=O)N1CCC[C@H]1C(=O)O)N

InChI

InChI=1S/C29H49N5O8/c1-9-12-21(26(37)34-16-11-13-20(34)29(40)41)42-22(35)14-15-31-25(36)19(6)32(7)28(39)24(17(3)4)33(8)27(38)23(30)18(5)10-2/h9,17-21,23-24H,1,10-16,30H2,2-8H3,(H,31,36)(H,40,41)/t18-,19-,20-,21?,23-,24-/m0/s1