Tcrvdhrglta

Structural Information

Molecular Formula

C₄₉H₈₅N₁₉O₁₆S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)O)N)O

InChI

InChI=1S/C49H85N19O16S/c1-21(2)14-29(42(78)68-37(25(7)70)46(82)60-23(5)47(83)84)61-33(71)18-58-38(74)27(10-8-12-56-48(51)52)62-40(76)30(15-26-17-55-20-59-26)64-41(77)31(16-34(72)73)65-45(81)36(22(3)4)67-39(75)28(11-9-13-57-49(53)54)63-43(79)32(19-85)66-44(80)35(50)24(6)69/h17,20-25,27-32,35-37,69-70,85H,8-16,18-19,50H2,1-7H3,(H,55,59)(H,58,74)(H,60,82)(H,61,71)(H,62,76)(H,63,79)(H,64,77)(H,65,81)(H,66,80)(H,67,75)(H,68,78)(H,72,73)(H,83,84)(H4,51,52,56)(H4,53,54,57)/t23-,24+,25+,27-,28-,29-,30-,31-,32-,35-,36-,37-/m0/s1

InChIKey

CAIRGZAQICRADA-BISHMRRZSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71598291