(2R)-2-azanyl-3-[[(2R)-2-[[4-azanyl-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanylidene-propyl]disulfanyl]propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[[(2R)-2-[[4-azanyl-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanylidene-propyl]disulfanyl]propanoic acid Openeye Name: (2R)-2-amino-3-[[(2R)-2-[[4-amino-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-[(2S)-2-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-3-oxo-propyl]disulfanyl]propanoic acid CAS Name: (2R)-2-amino-3-[[(2R)-2-[[4-amino-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-3-[(2S)-2-[[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-oxopropyl]disulfanyl]propanoic acid IUPAC Name: (2R)-2-amino-3-[[(2R)-2-[[4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanoic acid Traditional Name: (2R)-2-amino-3-[[(2R)-2-[[4-amino-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-3-[(2S)-2-[[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidino]-3-keto-propyl]disulfanyl]propionic acid Formula: C28H49N13O10S2 MolecularWeight: 791.89976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CSSCC(C(=O)O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CSSC[C@@H](C(=O)O)N)NC(=O)C(CC(=O)N)NC(=O)[C@H](CCC(=O)N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N

InChI

InChI=1S/C28H49N13O10S2/c29-13(5-6-19(31)42)22(45)39-16(9-20(32)43)24(47)40-17(12-53-52-11-14(30)27(50)51)26(49)41-8-2-4-18(41)25(48)38-15(3-1-7-36-28(34)35)23(46)37-10-21(33)44/h13-18H,1-12,29-30H2,(H2,31,42)(H2,32,43)(H2,33,44)(H,37,46)(H,38,48)(H,39,45)(H,40,47)(H,50,51)(H4,34,35,36)/t13-,14-,15-,16?,17-,18-/m0/s1