(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-[(4-methoxyphenyl)methylselanyl]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoyl]amino]-3-tert-butylsulfanyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-[(4-methoxyphenyl)methylselanyl]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoyl]amino]-3-tert-butylsulfanyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[(4-methoxyphenyl)methylselanyl]propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]-3-tert-butylsulfanyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[(4-methoxyphenyl)methylseleno]-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(tert-butylthio)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[(4-methoxyphenyl)methylselanyl]propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]-3-tert-butylsulfanylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(p-anisylseleno)propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]-3-(tert-butylthio)propanoyl]amino]hexanoyl]amino]-3-methyl-valeric acid Formula: C43H71N9O13SSe MolecularWeight: 1033.10134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CSC(C)(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(C[Se]CC1=CC=C(C=C1)OC)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C[Se]CC1=CC=C(C=C1)OC)N

InChI

InChI=1S/C43H71N9O13SSe/c1-8-24(2)35(42(63)64)52-40(61)29(11-9-10-18-44)49-41(62)32(21-66-43(4,5)6)51-36(57)25(3)47-33(54)19-46-38(59)31(20-53)50-39(60)30(16-17-34(55)56)48-37(58)28(45)23-67-22-26-12-14-27(65-7)15-13-26/h12-15,24-25,28-32,35,53H,8-11,16-23,44-45H2,1-7H3,(H,46,59)(H,47,54)(H,48,58)(H,49,62)(H,50,60)(H,51,57)(H,52,61)(H,55,56)(H,63,64)/t24-,25-,28-,29-,30-,31-,32-,35-/m0/s1