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

Structural Information

Molecular Formula

C₅₈H₈₅N₁₅O₂₀

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CCC(=O)N)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/C58H85N15O20/c1-7-9-34(66-55(90)41-10-8-21-73(41)58(93)47(29(4)5)72-56(91)46(28(2)3)71-52(87)37(17-20-45(81)82)67-50(85)35(64-30(6)75)16-19-44(79)80)48(83)57(92)62-25-43(78)65-36(15-18-42(59)77)51(86)69-39(23-32-24-61-27-63-32)54(89)68-38(22-31-11-13-33(76)14-12-31)53(88)70-40(26-74)49(60)84/h11-14,24,27-29,34-41,46-47,74,76H,7-10,15-23,25-26H2,1-6H3,(H2,59,77)(H2,60,84)(H,61,63)(H,62,92)(H,64,75)(H,65,78)(H,66,90)(H,67,85)(H,68,89)(H,69,86)(H,70,88)(H,71,87)(H,72,91)(H,79,80)(H,81,82)/t34-,35-,36-,37-,38-,39+,40-,41?,46-,47-/m0/s1

InChIKey

PHSNXXFMJFZDKT-JAQUUHISSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-1-[[2-[[(2S)-5-amino-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]-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 504379
• CID 504383