(2R)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2R)-2-amino-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-mercapto-propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-mercapto-propionic acid Formula: C41H70N14O11S2 MolecularWeight: 999.2117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C2CCCN2C(=O)C(CS)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)N

InChI

InChI=1S/C41H70N14O11S2/c1-22(2)14-27(53-39(63)31-10-7-13-55(31)40(64)24(44)19-67)37(61)51-28(15-23-17-46-21-48-23)38(62)50-26(9-4-6-12-43)36(60)52-29(16-32(45)56)34(58)47-18-33(57)49-25(8-3-5-11-42)35(59)54-30(20-68)41(65)66/h17,21-22,24-31,67-68H,3-16,18-20,42-44H2,1-2H3,(H2,45,56)(H,46,48)(H,47,58)(H,49,57)(H,50,62)(H,51,61)(H,52,60)(H,53,63)(H,54,59)(H,65,66)/t24-,25-,26-,27-,28-,29-,30-,31-/m0/s1