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

Structural Information

Molecular Formula

C₆₃H₉₅N₁₅O₁₄S₂

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)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]5CCCN5

InChI

InChI=1S/C63H95N15O14S2/c1-7-35(4)50(59(88)69-37(6)51(80)70-42(18-12-26-67-63(64)65)60(89)77-27-13-19-48(77)58(87)73-45(29-34(2)3)61(90)78-28-14-20-49(78)62(91)92)76-55(84)44(31-39-21-23-40(79)24-22-39)71-52(81)36(5)68-54(83)43(30-38-15-9-8-10-16-38)72-56(85)46(32-93)75-57(86)47(33-94)74-53(82)41-17-11-25-66-41/h8-10,15-16,21-24,34-37,41-50,66,79,93-94H,7,11-14,17-20,25-33H2,1-6H3,(H,68,83)(H,69,88)(H,70,80)(H,71,81)(H,72,85)(H,73,87)(H,74,82)(H,75,86)(H,76,84)(H,91,92)(H4,64,65,67)/t35-,36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

POWLLANXMDKEHS-LZAZNRFQSA-N

Compound name

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

Related CIDs

• CID 5482508