Ac-eevvp-nv-(co)-gdmdhys-am

Structural Information

Molecular Formula

C₅₈H₈₆N₁₄O₁₉S

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)C3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C58H86N14O19S/c1-8-10-35(65-55(88)42-11-9-21-72(42)58(91)47(30(4)5)71-56(89)46(29(2)3)70-52(85)37(17-19-45(79)80)66-50(83)36(63-31(6)74)16-18-44(77)78)48(81)57(90)61-26-43(76)64-38(20-22-92-7)51(84)68-40(24-33-25-60-28-62-33)54(87)67-39(23-32-12-14-34(75)15-13-32)53(86)69-41(27-73)49(59)82/h12-15,25,28-30,35-42,46-47,73,75H,8-11,16-24,26-27H2,1-7H3,(H2,59,82)(H,60,62)(H,61,90)(H,63,74)(H,64,76)(H,65,88)(H,66,83)(H,67,87)(H,68,84)(H,69,86)(H,70,85)(H,71,89)(H,77,78)(H,79,80)/t35-,36-,37-,38-,39-,40+,41-,42?,46-,47-/m0/s1

InChIKey

JEQRCSPAIGOHDN-BSIGXMGFSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 504365
• CID 504369