(2S)-2-acetamido-N-[(2S)-1-[[(2R,3R)-1-[[(2S)-1-[[(2S)-5-azanyl-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]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]pentanediamide

Systemtic Name: (2S)-2-acetamido-N-[(2S)-1-[[(2R,3R)-1-[[(2S)-1-[[(2S)-5-azanyl-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]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]pentanediamide Openeye Name: (2S)-2-acetamido-N-[(1S)-1-[[(1R,2R)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]pentanediamide CAS Name: (2S)-2-acetamido-N-[(2S)-1-[[(2R,3R)-1-[[(2S)-1-[[(2S)-5-amino-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]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(2R,3R)-1-[[(2S)-1-[[(2S)-5-amino-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]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide Traditional Name: (2S)-2-acetamido-N-[(1S)-1-[[(1R,2R)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]glutaramide Formula: C45H80N14O12 MolecularWeight: 1009.2033

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C45H80N14O12/c1-9-24(6)35(42(69)54-29(14-12-20-51-45(48)49)44(71)59-21-13-15-31(59)40(67)50-11-3)57-38(65)28(17-19-33(47)63)53-39(66)30(22-60)55-43(70)36(25(7)10-2)58-41(68)34(23(4)5)56-37(64)27(52-26(8)61)16-18-32(46)62/h23-25,27-31,34-36,60H,9-22H2,1-8H3,(H2,46,62)(H2,47,63)(H,50,67)(H,52,61)(H,53,66)(H,54,69)(H,55,70)(H,56,64)(H,57,65)(H,58,68)(H4,48,49,51)/t24-,25+,27-,28-,29-,30-,31-,34-,35-,36+/m0/s1