(2S)-5-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-5-keto-valeric acid Formula: C27H47N7O8 MolecularWeight: 597.70418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C27H47N7O8/c1-7-14(4)21(25(39)30-16(6)23(37)31-17(27(41)42)10-11-19(29)35)33-24(38)18-9-8-12-34(18)26(40)20(13(2)3)32-22(36)15(5)28/h13-18,20-21H,7-12,28H2,1-6H3,(H2,29,35)(H,30,39)(H,31,37)(H,32,36)(H,33,38)(H,41,42)/t14-,15-,16-,17-,18-,20-,21-/m0/s1