(2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-3-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[2-[2-[ethanoyl(methyl)amino]ethanoylamino]ethanoylamino]pentanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-3-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[2-[2-[ethanoyl(methyl)amino]ethanoylamino]ethanoylamino]pentanediamide Openeye Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-N-[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-2-methylsulfanyl-propyl]pentanediamide CAS Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-3-(methylthio)-1-oxobutan-2-yl]pentanediamide IUPAC Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-3-methylsulfanyl-1-oxobutan-2-yl]pentanediamide Traditional Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-N-[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-2-(methylthio)propyl]glutaramide Formula: C46H82N14O12S MolecularWeight: 1055.29488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(C(C)(C)SC)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)CN(C)C(=O)C

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C(C)(C)SC)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)CN(C)C(=O)C

InChI

InChI=1S/C46H82N14O12S/c1-11-16-28(38(66)56-35(25(4)12-2)41(69)55-30(17-14-21-51-45(48)49)44(72)60-22-15-18-31(60)40(68)50-13-3)54-42(70)36(26(5)61)57-43(71)37(46(7,8)73-10)58-39(67)29(19-20-32(47)63)53-33(64)23-52-34(65)24-59(9)27(6)62/h25-26,28-31,35-37,61H,11-24H2,1-10H3,(H2,47,63)(H,50,68)(H,52,65)(H,53,64)(H,54,70)(H,55,69)(H,56,66)(H,57,71)(H,58,67)(H4,48,49,51)/t25-,26+,28-,29-,30-,31-,35-,36-,37-/m0/s1