(4s)-4-amino-5-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[(2s)-2-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₄₈H₇₅N₁₁O₁₆S

SMILES

CCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C48H75N11O16S/c1-7-10-29(42(69)55-32(21-60)44(71)53-30(39(50)66)19-25-12-14-26(61)15-13-25)52-45(72)34-11-9-18-59(34)48(75)33(22-76)56-41(68)28(8-2)51-46(73)37(23(3)4)58-47(74)38(24(5)6)57-43(70)31(20-36(64)65)54-40(67)27(49)16-17-35(62)63/h12-15,23-24,27-34,37-38,60-61,76H,7-11,16-22,49H2,1-6H3,(H2,50,66)(H,51,73)(H,52,72)(H,53,71)(H,54,67)(H,55,69)(H,56,68)(H,57,70)(H,58,74)(H,62,63)(H,64,65)/t27-,28-,29-,30-,31-,32-,33-,34-,37-,38-/m0/s1

InChIKey

GDHPFFGHIOOREZ-HKMCTADRSA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485563