Ac-asp-thr-glu-asp-val-val-pro-azanval-ser-met-ser-oh

Structural Information

Molecular Formula

C₄₉H₈₀N₁₂O₂₂S

SMILES

CCCN(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@@H]1CCCN1C(=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)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C49H80N12O22S/c1-9-15-61(49(83)55-30(20-62)43(76)51-27(14-17-84-8)40(73)54-31(21-63)48(81)82)59-44(77)32-11-10-16-60(32)47(80)37(23(4)5)57-45(78)36(22(2)3)56-42(75)29(19-35(70)71)53-39(72)26(12-13-33(66)67)52-46(79)38(24(6)64)58-41(74)28(18-34(68)69)50-25(7)65/h22-24,26-32,36-38,62-64H,9-21H2,1-8H3,(H,50,65)(H,51,76)(H,52,79)(H,53,72)(H,54,73)(H,55,83)(H,56,75)(H,57,78)(H,58,74)(H,59,77)(H,66,67)(H,68,69)(H,70,71)(H,81,82)/t24-,26+,27+,28+,29+,30+,31+,32+,36+,37+,38+/m1/s1

InChIKey

RQWJHYFOAMWWSO-REGBFBBOSA-N

Compound name

(4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl-propylamino]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 492509