[w7a]12p1

Structural Information

Molecular Formula

C₅₅H₉₅N₁₇O₁₈S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C55H95N17O18S2/c1-9-26(3)41(70-45(80)30(56)13-11-19-61-55(59)60)52(87)68-34(23-38(57)74)48(83)67-35(24-39(58)75)49(84)71-42(27(4)10-2)53(88)72-20-12-14-37(72)51(86)63-29(6)44(79)69-36(25-73)50(85)65-31(15-16-40(76)77)46(81)62-28(5)43(78)64-32(17-21-91-7)47(82)66-33(54(89)90)18-22-92-8/h26-37,41-42,73H,9-25,56H2,1-8H3,(H2,57,74)(H2,58,75)(H,62,81)(H,63,86)(H,64,78)(H,65,85)(H,66,82)(H,67,83)(H,68,87)(H,69,79)(H,70,80)(H,71,84)(H,76,77)(H,89,90)(H4,59,60,61)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,41-,42-/m0/s1

InChIKey

GGPXXWYBNMAFAS-GYSUVFOLSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5496465