Nh2-arg-arg-nal-ala-tyr-d-lys-pro-tyr-ala-arg-oh

Structural Information

Molecular Formula

C₆₆H₉₆N₂₀O₁₃

SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C66H96N20O13/c1-37(54(89)82-49(63(98)99)16-9-31-77-66(73)74)78-58(93)50(34-39-19-24-44(87)25-20-39)85-61(96)53-17-10-32-86(53)62(97)48(14-5-6-28-67)81-60(95)51(35-40-21-26-45(88)27-22-40)83-55(90)38(2)79-59(94)52(36-41-18-23-42-11-3-4-12-43(42)33-41)84-57(92)47(15-8-30-76-65(71)72)80-56(91)46(68)13-7-29-75-64(69)70/h3-4,11-12,18-27,33,37-38,46-53,87-88H,5-10,13-17,28-32,34-36,67-68H2,1-2H3,(H,78,93)(H,79,94)(H,80,91)(H,81,95)(H,82,89)(H,83,90)(H,84,92)(H,85,96)(H,98,99)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t37-,38-,46-,47-,48+,49-,50-,51-,52-,53-/m0/s1

InChIKey

IEJNSQJUSOWQDI-QNJCCSCUSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25080246