(2S)-N-[(2R)-1-[[(2S)-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-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-[2-[2-[ethanoyl(methyl)amino]ethanoylamino]ethanoylamino]-N-methyl-butanediamide

Systemtic Name: (2S)-N-[(2R)-1-[[(2S)-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-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-[2-[2-[ethanoyl(methyl)amino]ethanoylamino]ethanoylamino]-N-methyl-butanediamide Openeye Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-N-[(1R)-1-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-N-methyl-butanediamide CAS Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-N-[(2R)-1-[[(2S)-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-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylbutanediamide IUPAC Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-N-[(2R)-1-[[(2S)-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-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylbutanediamide Traditional Name: (2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-N-[(1R)-1-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]-N-methyl-succinamide Formula: C45H80N14O12 MolecularWeight: 1009.2033

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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(CO)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(=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](CO)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CN(C)C(=O)C

InChI

InChI=1S/C45H80N14O12/c1-10-15-28(38(65)56-37(26(6)11-2)42(69)54-29(16-13-18-50-45(47)48)44(71)59-19-14-17-32(59)40(67)49-12-3)53-39(66)31(24-60)55-41(68)33(20-25(4)5)58(9)43(70)30(21-34(46)62)52-35(63)22-51-36(64)23-57(8)27(7)61/h25-26,28-33,37,60H,10-24H2,1-9H3,(H2,46,62)(H,49,67)(H,51,64)(H,52,63)(H,53,66)(H,54,69)(H,55,68)(H,56,65)(H4,47,48,50)/t26-,28-,29-,30-,31-,32-,33+,37-/m0/s1