Fdemeecashlpya

Structural Information

Molecular Formula

C₇₁H₁₀₀N₁₆O₂₅S₂

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C71H100N16O25S2/c1-35(2)26-50(70(110)87-24-9-12-53(87)69(109)83-47(64(104)76-37(4)71(111)112)28-39-13-15-41(89)16-14-39)84-65(105)48(29-40-31-73-34-74-40)82-67(107)51(32-88)85-58(98)36(3)75-68(108)52(33-113)86-62(102)45(19-22-56(94)95)77-60(100)43(17-20-54(90)91)78-63(103)46(23-25-114-5)80-61(101)44(18-21-55(92)93)79-66(106)49(30-57(96)97)81-59(99)42(72)27-38-10-7-6-8-11-38/h6-8,10-11,13-16,31,34-37,42-53,88-89,113H,9,12,17-30,32-33,72H2,1-5H3,(H,73,74)(H,75,108)(H,76,104)(H,77,100)(H,78,103)(H,79,106)(H,80,101)(H,81,99)(H,82,107)(H,83,109)(H,84,105)(H,85,98)(H,86,102)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,111,112)/t36-,37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey

MNXPWKBSWDZFAM-YRKYYCFESA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-4-carboxy-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186501