(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-azanyl-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-azanyl-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-amino-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]prolyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid Formula: C22H40N6O7 MolecularWeight: 500.589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H40N6O7/c1-13(2)10-14(24)21(33)28-9-5-7-17(28)20(32)25-11-18(30)26-16(12-29)19(31)27-15(22(34)35)6-3-4-8-23/h13-17,29H,3-12,23-24H2,1-2H3,(H,25,32)(H,26,30)(H,27,31)(H,34,35)/t14-,15-,16-,17-/m0/s1