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

Structural Information

Molecular Formula

C₅₅H₈₃N₁₃O₂₁

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)C2CCCN2C(=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/C55H83N13O21/c1-7-9-31(45(79)54(88)58-23-40(74)60-33(15-18-39(56)73)48(82)65-37(25-70)51(85)63-35(22-29-11-13-30(72)14-12-29)50(84)64-36(24-69)46(57)80)61-52(86)38-10-8-21-68(38)55(89)44(27(4)5)67-53(87)43(26(2)3)66-49(83)34(17-20-42(77)78)62-47(81)32(59-28(6)71)16-19-41(75)76/h11-14,26-27,31-38,43-44,69-70,72H,7-10,15-25H2,1-6H3,(H2,56,73)(H2,57,80)(H,58,88)(H,59,71)(H,60,74)(H,61,86)(H,62,81)(H,63,85)(H,64,84)(H,65,82)(H,66,83)(H,67,87)(H,75,76)(H,77,78)/t31-,32-,33-,34-,35-,36-,37-,38?,43-,44-/m0/s1

InChIKey

NSSXPPDBRCJALC-ABRWUFMZSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-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 504377
• CID 504378
• CID 504381
• CID 504382