Nh2-nal-arg-arg-cys(x1)-arg-d-lys-pro-tyr-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₆₄H₁₀₁N₂₃O₁₂S₂

SMILES

C=C/C=C(\C=C/CC[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CCCCN)CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)/O

InChI

InChI=1S/C64H101N23O12S2/c1-2-14-40(88)17-5-6-18-42-54(92)86-49(57(95)84-47(60(98)99)23-12-31-78-64(73)74)36-101-100-35-48(56(94)81-44(21-10-29-76-62(69)70)53(91)83-46(19-7-8-27-65)59(97)87-32-13-24-50(87)58(96)82-42)85-55(93)45(22-11-30-77-63(71)72)80-52(90)43(20-9-28-75-61(67)68)79-51(89)41(66)34-37-25-26-38-15-3-4-16-39(38)33-37/h2-5,14-17,25-26,33,41-50,88H,1,6-13,18-24,27-32,34-36,65-66H2,(H,79,89)(H,80,90)(H,81,94)(H,82,96)(H,83,91)(H,84,95)(H,85,93)(H,86,92)(H,98,99)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/b17-5-,40-14+/t41-,42-,43-,44-,45-,46+,47-,48-,49-,50-/m0/s1

InChIKey

XDJCLDOMFDJWNU-POLNYOKBSA-N

Compound name

(2S)-2-[[(3R,6S,9R,14R,17S,20S)-3-(4-aminobutyl)-9-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-[3-(diaminomethylideneamino)propyl]-17-[(3Z,5E)-5-hydroxyocta-3,5,7-trienyl]-2,5,8,16,19-pentaoxo-11,12-dithia-1,4,7,15,18-pentazabicyclo[18.3.0]tricosane-14-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25080242