(2R)-2-[[(2S)-1-[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-1-[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]prolyl]amino]-3-mercapto-propionic acid Formula: C40H74N16O11S2 MolecularWeight: 1019.24616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CS)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CS)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C40H74N16O11S2/c1-20(2)29(54-33(61)24(10-6-14-47-39(43)44)52-32(60)23(9-4-5-13-41)51-31(59)22(42)18-68)36(64)55-30(21(3)57)35(63)49-17-28(58)50-25(11-7-15-48-40(45)46)37(65)56-16-8-12-27(56)34(62)53-26(19-69)38(66)67/h20-27,29-30,57,68-69H,4-19,41-42H2,1-3H3,(H,49,63)(H,50,58)(H,51,59)(H,52,60)(H,53,62)(H,54,61)(H,55,64)(H,66,67)(H4,43,44,47)(H4,45,46,48)/t21-,22+,23+,24+,25+,26+,27+,29+,30+/m1/s1