(2S,3S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-methyl-valeric acid Formula: C27H49N7O8 MolecularWeight: 599.72006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C27H49N7O8/c1-9-14(5)21(33-23(37)16(7)28)26(40)31-17(8)24(38)30-11-18(35)29-12-19(36)32-20(13(3)4)25(39)34-22(27(41)42)15(6)10-2/h13-17,20-22H,9-12,28H2,1-8H3,(H,29,35)(H,30,38)(H,31,40)(H,32,36)(H,33,37)(H,34,39)(H,41,42)/t14-,15-,16-,17-,20-,21-,22-/m0/s1