(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanamide

Structural Information

Molecular Formula

C₆₁H₁₁₃N₂₃O₁₁

SMILES

CC[C@H](NC(=O)C[C@H](C(C)C)NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](CC)NC(=O)C[C@H](C(C)C)NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](CC)NC(=O)C[C@H](C(C)C)NC(=O)C[C@H](CC1=CC=C(C=C1)O)N)NC(=O)N[C@@H](CCCN=C(N)N)CC(=O)N

InChI

InChI=1S/C61H113N23O11/c1-10-47(82-59(93)73-39(28-46(63)86)16-13-23-70-56(64)65)79-54(91)32-44(35(6)7)77-51(88)30-41(18-15-25-72-58(68)69)75-61(95)84-49(12-3)81-55(92)33-45(36(8)9)78-52(89)29-40(17-14-24-71-57(66)67)74-60(94)83-48(11-2)80-53(90)31-43(34(4)5)76-50(87)27-38(62)26-37-19-21-42(85)22-20-37/h19-22,34-36,38-41,43-45,47-49,85H,10-18,23-33,62H2,1-9H3,(H2,63,86)(H,76,87)(H,77,88)(H,78,89)(H,79,91)(H,80,90)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)(H2,73,82,93)(H2,74,83,94)(H2,75,84,95)/t38-,39-,40-,41-,43+,44+,45+,47+,48+,49+/m0/s1

InChIKey

HQQKZYUPTIOZRK-DTGCRHOWSA-N

Compound name

(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]propyl]carbamoylamino]-6-(diaminomethylideneamino)hexanamide

Related CIDs

• CID 129905137