(3S)-3-[2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S,3R)-1-[[2-[(2S)-2-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S,3R)-1-[[2-[(2S)-2-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S,2R)-1-[[2-[(2S)-2-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S,3R)-1-[[2-[(2S)-2-[[(2S)-2-[(carboxymethylamino)-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S,3R)-1-[[2-[(2S)-2-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S,2R)-1-[[2-[(2S)-2-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidino]-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-3-[[2-[[(2S)-2-[[(2S)-2-(glycylamino)-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C35H57N13O15 MolecularWeight: 899.90518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)CN)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)CN)O

InChI

InChI=1S/C35H57N13O15/c1-17(50)28(33(62)41-14-25(53)47-9-4-7-22(47)34(63)48-10-3-6-21(48)32(61)42-15-27(56)57)46-30(59)19(11-26(54)55)43-24(52)13-40-29(58)18(5-2-8-39-35(37)38)45-31(60)20(16-49)44-23(51)12-36/h17-22,28,49-50H,2-16,36H2,1H3,(H,40,58)(H,41,62)(H,42,61)(H,43,52)(H,44,51)(H,45,60)(H,46,59)(H,54,55)(H,56,57)(H4,37,38,39)/t17-,18+,19+,20+,21+,22+,28+/m1/s1