Lys-ala-arg-tfg-tyr-nph-glu-ala-nle-nh2

Structural Information

Molecular Formula

C₅₃H₈₁N₁₅O₁₅

SMILES

CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C3CCOC3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C53H81N15O15/c1-4-5-10-37(44(56)72)62-45(73)30(3)61-48(76)39(20-21-42(70)71)64-50(78)40(26-31-12-16-34(17-13-31)68(81)82)65-51(79)41(27-32-14-18-35(69)19-15-32)66-52(80)43(33-22-25-83-28-33)67-49(77)38(11-8-24-59-53(57)58)63-46(74)29(2)60-47(75)36(55)9-6-7-23-54/h12-19,29-30,33,36-41,43,69H,4-11,20-28,54-55H2,1-3H3,(H2,56,72)(H,60,75)(H,61,76)(H,62,73)(H,63,74)(H,64,78)(H,65,79)(H,66,80)(H,67,77)(H,70,71)(H4,57,58,59)/t29-,30-,33?,36-,37-,38-,39-,40-,41-,43-/m0/s1

InChIKey

QCZSPOSCMQETDJ-BIPUTSDUSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(oxolan-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 510617