(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2,6-diamino-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]prolyl]amino]hexanoyl]amino]-4-(methylthio)butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-mercapto-propionic acid Formula: C30H56N8O7S3 MolecularWeight: 737.01004

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCSC)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCCN)N

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N

InChI

InChI=1S/C30H56N8O7S3/c1-47-16-11-21(26(40)35-22(12-17-48-2)27(41)37-23(18-46)30(44)45)34-25(39)20(9-4-6-14-32)36-28(42)24-10-7-15-38(24)29(43)19(33)8-3-5-13-31/h19-24,46H,3-18,31-33H2,1-2H3,(H,34,39)(H,35,40)(H,36,42)(H,37,41)(H,44,45)/t19-,20-,21-,22-,23-,24-/m0/s1