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

Structural Information

Molecular Formula

C₆₄H₁₀₀N₁₈O₁₄S

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)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=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)N

InChI

InChI=1S/C64H100N18O14S/c1-8-35(4)50(80-56(89)46(32-40-22-24-41(83)25-23-40)77-52(85)36(5)72-55(88)45(78-53(86)42(65)33-97)31-39-16-10-9-11-17-39)59(92)73-37(6)51(84)76-44(19-13-27-71-64(68)69)60(93)81-28-14-21-49(81)58(91)79-47(30-34(2)3)61(94)82-29-15-20-48(82)57(90)75-43(18-12-26-70-63(66)67)54(87)74-38(7)62(95)96/h9-11,16-17,22-25,34-38,42-50,83,97H,8,12-15,18-21,26-33,65H2,1-7H3,(H,72,88)(H,73,92)(H,74,87)(H,75,90)(H,76,84)(H,77,85)(H,78,86)(H,79,91)(H,80,89)(H,95,96)(H4,66,67,70)(H4,68,69,71)/t35-,36-,37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

DSTJVDXEEUPYKF-APFNLCAISA-N

Compound name

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

Related CIDs

• CID 5482509