(4S)-4-[[(2S)-4-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-4-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-4-amino-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]amino]-5-[[(1S)-1-[[2-[[(1S)-4-guanidino-1-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]butyl]amino]-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-4-amino-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-4-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-4-amino-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-4-keto-butanoyl]amino]-5-[[(1S)-1-[[2-[[(1S)-4-guanidino-1-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]butyl]amino]-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-5-keto-valeric acid Formula: C27H45N11O13S2 MolecularWeight: 795.8421

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)NC(CS)C(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CS)N)CN=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C27H45N11O13S2/c28-11(9-52)21(45)36-14(6-17(29)39)25(49)35-13(3-4-19(41)42)24(48)37-15(7-20(43)44)22(46)33-8-18(40)34-12(2-1-5-32-27(30)31)23(47)38-16(10-53)26(50)51/h11-16,52-53H,1-10,28H2,(H2,29,39)(H,33,46)(H,34,40)(H,35,49)(H,36,45)(H,37,48)(H,38,47)(H,41,42)(H,43,44)(H,50,51)(H4,30,31,32)/t11-,12-,13-,14-,15-,16-/m0/s1