(2R)-2-[[(2S)-1-[(2S)-1-[(2R)-2-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-1-[(2S)-1-[(2R)-2-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-1-[(2S)-1-[(2R)-2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[[(2S)-1-[[(2S)-1-[(2R)-2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[(2S)-1-[(2R)-2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-1-[(2S)-1-[(2R)-2-[[2-[[2-[[2-[[2-(glycylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-mercapto-propanoyl]prolyl]prolyl]amino]-3-mercapto-propionic acid Formula: C26H41N9O10S2 MolecularWeight: 703.78804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CS)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C26H41N9O10S2/c27-7-18(36)28-8-19(37)29-9-20(38)30-10-21(39)31-11-22(40)32-14(12-46)24(42)35-6-2-4-17(35)25(43)34-5-1-3-16(34)23(41)33-15(13-47)26(44)45/h14-17,46-47H,1-13,27H2,(H,28,36)(H,29,37)(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,44,45)/t14-,15-,16-,17-/m0/s1