Tcrvdhagltf

Structural Information

Molecular Formula

C₅₂H₈₂N₁₆O₁₆S

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](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N)O

InChI

InChI=1S/C52H82N16O16S/c1-24(2)16-32(46(78)68-41(28(7)70)50(82)65-35(51(83)84)17-29-12-9-8-10-13-29)61-37(71)21-58-42(74)26(5)60-44(76)33(18-30-20-56-23-59-30)63-45(77)34(19-38(72)73)64-49(81)40(25(3)4)67-43(75)31(14-11-15-57-52(54)55)62-47(79)36(22-85)66-48(80)39(53)27(6)69/h8-10,12-13,20,23-28,31-36,39-41,69-70,85H,11,14-19,21-22,53H2,1-7H3,(H,56,59)(H,58,74)(H,60,76)(H,61,71)(H,62,79)(H,63,77)(H,64,81)(H,65,82)(H,66,80)(H,67,75)(H,68,78)(H,72,73)(H,83,84)(H4,54,55,57)/t26-,27+,28+,31-,32-,33-,34-,35-,36-,39-,40-,41-/m0/s1

InChIKey

MDQFVSMIUVLXID-HSKJPGTFSA-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-carboxy-2-phenylethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71598174