Ac-asp-glu-dif-ile-cha-cys-pro-hof-hyp-leu

Structural Information

Molecular Formula

C₇₁H₉₉N₁₁O₁₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)N4CC(C[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)N)O)NC(=O)[C@H](C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C71H99N11O16S/c1-7-42(4)60(78-68(95)61(59(46-25-16-10-17-26-46)47-27-18-11-19-28-47)79-63(90)49(32-33-57(85)86)74-64(91)52(38-58(87)88)73-43(5)83)71(98)80(6)55(36-45-23-14-9-15-24-45)66(93)77-53(40-99)70(97)81-34-20-29-54(81)65(92)75-50(31-30-44-21-12-8-13-22-44)69(96)82-39-48(84)37-56(82)67(94)76-51(62(72)89)35-41(2)3/h8,10-13,16-19,21-22,25-28,41-42,45,48-56,59-61,84,99H,7,9,14-15,20,23-24,29-40H2,1-6H3,(H2,72,89)(H,73,83)(H,74,91)(H,75,92)(H,76,94)(H,77,93)(H,78,95)(H,79,90)(H,85,86)(H,87,88)/t42-,48?,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1

InChIKey

QUICIBXOOQJRJE-QCUFMMCNSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485560