H-thr-thr-pro-cys-cys-phe-ala-tyr-ile-ala-arg-pro-oh

Structural Information

Molecular Formula

C₆₀H₉₁N₁₅O₁₆S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C60H91N15O16S2/c1-7-30(2)46(56(87)66-32(4)48(79)67-38(16-11-23-64-60(62)63)57(88)75-25-13-18-44(75)59(90)91)72-51(82)40(27-36-19-21-37(78)22-20-36)68-49(80)31(3)65-50(81)39(26-35-14-9-8-10-15-35)69-52(83)41(28-92)70-53(84)42(29-93)71-54(85)43-17-12-24-74(43)58(89)47(34(6)77)73-55(86)45(61)33(5)76/h8-10,14-15,19-22,30-34,38-47,76-78,92-93H,7,11-13,16-18,23-29,61H2,1-6H3,(H,65,81)(H,66,87)(H,67,79)(H,68,80)(H,69,83)(H,70,84)(H,71,85)(H,72,82)(H,73,86)(H,90,91)(H4,62,63,64)/t30-,31-,32-,33+,34+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

DTOBVIOVYJFRJN-ZBMDBPDKSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 5482507