(2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[2-[2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[2-[2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]hexanoyl]amino]propionic acid Formula: C27H49N9O9S MolecularWeight: 675.79786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)CNC(=O)C(CCC(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C27H49N9O9S/c1-14(2)10-18(34-22(39)12-31-21(38)11-32-23(40)16(29)7-8-20(30)37)25(42)36-19(13-46)26(43)35-17(6-4-5-9-28)24(41)33-15(3)27(44)45/h14-19,46H,4-13,28-29H2,1-3H3,(H2,30,37)(H,31,38)(H,32,40)(H,33,41)(H,34,39)(H,35,43)(H,36,42)(H,44,45)/t15-,16-,17-,18-,19-/m0/s1