(2S)-6-azanyl-2-[2-[2-[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-[2-[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[[2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[2-[[2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[[2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[[2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[2-(glycylamino)acetyl]amino]acetyl]amino]-3-mercapto-propanoyl]amino]-3-mercapto-propanoyl]amino]-3-mercapto-propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]hexanoic acid Formula: C27H47N11O11S3 MolecularWeight: 797.92418

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CS)NC(=O)CNC(=O)CNC(=O)CN

Isomeric SMILES

C(CCN)C[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)CN

InChI

InChI=1S/C27H47N11O11S3/c28-4-2-1-3-14(27(48)49)35-22(43)9-32-20(41)7-31-21(42)8-34-24(45)15(11-50)37-26(47)17(13-52)38-25(46)16(12-51)36-23(44)10-33-19(40)6-30-18(39)5-29/h14-17,50-52H,1-13,28-29H2,(H,30,39)(H,31,42)(H,32,41)(H,33,40)(H,34,45)(H,35,43)(H,36,44)(H,37,47)(H,38,46)(H,48,49)/t14-,15-,16-,17-/m0/s1