Dcstpcsgsw-nh2

Structural Information

Molecular Formula

C₄₁H₆₀N₁₂O₁₆S₂

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C41H60N12O16S2/c1-18(57)32(52-37(65)26(15-56)49-38(66)27(16-70)50-34(62)21(42)10-31(59)60)41(69)53-8-4-7-29(53)40(68)51-28(17-71)39(67)48-24(13-54)35(63)45-12-30(58)46-25(14-55)36(64)47-23(33(43)61)9-19-11-44-22-6-3-2-5-20(19)22/h2-3,5-6,11,18,21,23-29,32,44,54-57,70-71H,4,7-10,12-17,42H2,1H3,(H2,43,61)(H,45,63)(H,46,58)(H,47,64)(H,48,67)(H,49,66)(H,50,62)(H,51,68)(H,52,65)(H,59,60)/t18-,21+,23+,24+,25+,26+,27+,28+,29+,32+/m1/s1

InChIKey

SASZRYNAFXHCMN-DIMSTUTCSA-N

Compound name

(3S)-3-amino-4-[[(2R)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 497834