Tcrvdargltf

Structural Information

Molecular Formula

C₅₂H₈₇N₁₇O₁₆S

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](C)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](CC1=CC=CC=C1)C(=O)O)N)O

InChI

InChI=1S/C52H87N17O16S/c1-24(2)19-32(45(79)69-40(28(7)71)49(83)66-34(50(84)85)20-29-13-9-8-10-14-29)62-36(72)22-60-42(76)30(15-11-17-58-51(54)55)63-41(75)26(5)61-44(78)33(21-37(73)74)65-48(82)39(25(3)4)68-43(77)31(16-12-18-59-52(56)57)64-46(80)35(23-86)67-47(81)38(53)27(6)70/h8-10,13-14,24-28,30-35,38-40,70-71,86H,11-12,15-23,53H2,1-7H3,(H,60,76)(H,61,78)(H,62,72)(H,63,75)(H,64,80)(H,65,82)(H,66,83)(H,67,81)(H,68,77)(H,69,79)(H,73,74)(H,84,85)(H4,54,55,58)(H4,56,57,59)/t26-,27+,28+,30-,31-,32-,33-,34-,35-,38-,39-,40-/m0/s1

InChIKey

DSHGJSIATMCYHI-XFTVTZTQSA-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]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71598138