(2S,3R)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[2-[[(2S)-4-amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-3-hydroxy-butyric acid Formula: C27H47N7O9 MolecularWeight: 613.70358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(C(C)O)C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C27H47N7O9/c1-6-14(4)21(29)25(40)32-17(10-13(2)3)26(41)34-9-7-8-18(34)24(39)31-16(11-19(28)36)23(38)30-12-20(37)33-22(15(5)35)27(42)43/h13-18,21-22,35H,6-12,29H2,1-5H3,(H2,28,36)(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,42,43)/t14-,15+,16-,17-,18-,21-,22-/m0/s1